UCSF

NIH Clinical Collection

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Functional 10μM Targets with Highest Number of Available Compounds (561 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
Z50425-3-O Plasmodium falciparum (cluster #3 of 22) Other 60 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 12) Other 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-1-O Cavia porcellus (cluster #1 of 7) Other 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592-3-O Oryctolagus cuniculus (cluster #3 of 8) Other 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466-1-O Trypanosoma cruzi (cluster #1 of 8) Other 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4-1-E Serotonin transporter (cluster #1 of 1) Eukaryotes 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
KCNH2-1-E HERG (cluster #1 of 2) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-1-O Homo sapiens (cluster #1 of 9) Other 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-2-O L1210 (Lymphocytic leukemia cells) (cluster #2 of 12) Other 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 9) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-1-O Human immunodeficiency virus 1 (cluster #1 of 10) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064-1-O CCRF-CEM (T-cell leukemia) (cluster #1 of 9) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-1-O K562 (Erythroleukemia cells) (cluster #1 of 11) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-1-O MCF7 (Breast carcinoma cells) (cluster #1 of 14) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C-1-E Voltage-gated L-type calcium channel alpha-1C subunit (cluster #1 of 1) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D-1-E Voltage-gated L-type calcium channel alpha-1D subunit (cluster #1 of 1) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD1-1-E Dopamine D1 receptor (cluster #1 of 1) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306-1-O Aorta (cluster #1 of 6) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-11-O Plasmodium falciparum (cluster #11 of 22) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-4-O Homo sapiens (cluster #4 of 9) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677-1-O Human immunodeficiency virus (cluster #1 of 3) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-1-O CEM (T-cell leukemia) (cluster #1 of 7) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115-2-O KB (Squamous cell carcinoma) (cluster #2 of 6) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-1-O HeLa (Cervical adenocarcinoma cells) (cluster #1 of 9) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1-4-E Transient receptor potential cation channel subfamily A member 1 (cluster #4 of 6) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081-2-O PBMC (Peripheral blood mononuclear cells) (cluster #2 of 4) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-3-O Rattus norvegicus (cluster #3 of 12) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80052-1-O C8166 (Leukemic T-cells) (cluster #1 of 3) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125-1-O DU-145 (Prostate carcinoma) (cluster #1 of 9) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-2-O MT4 (Lymphocytes) (cluster #2 of 8) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170-1-O LNCaP (Prostate carcinoma) (cluster #1 of 5) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES-1-E Acetylcholinesterase (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB2-1-E Beta-2 adrenergic receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1S-1-E Voltage-gated L-type calcium channel alpha-1S subunit (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
P97706-1-E Sodium channel protein type VI alpha subunit (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA-1-E Peroxisome proliferator-activated receptor alpha (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547-1-V Human immunodeficiency virus type 1 reverse transcriptase (cluster #1 of 1) Viruses 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN5A-1-E Sodium channel protein type V alpha subunit (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104301-1-O GABA-A receptor; anion channel (cluster #1 of 2) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606-1-O Hepatitis B virus (cluster #1 of 3) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80106-1-O COS-1 (Kidney cells) (cluster #1 of 1) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-2-O HL-60 (Promyeloblast leukemia cells) (cluster #2 of 12) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-1-O HT-29 (Colon adenocarcinoma cells) (cluster #1 of 12) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211-1-O LoVo (Colon adenocarcinoma cells) (cluster #1 of 5) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-1-O PC-3 (Prostate carcinoma cells) (cluster #1 of 10) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-1-O A549 (Lung carcinoma cells) (cluster #1 of 11) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928-1-O HCT-116 (Colon carcinoma cells) (cluster #1 of 9) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245-1-O MDA-MB-435 (Breast carcinoma cells) (cluster #1 of 6) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D-1-E Serotonin 1d (5-HT1d) receptor (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A-1-E Serotonin 3a (5-HT3a) receptor (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R-1-E Serotonin 4 (5-HT4) receptor (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-1-E Dopamine D2 receptor (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2-1-E Estrogen receptor beta (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-1-E Histamine H1 receptor (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1-1-E P-glycoprotein 1 (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR3-1-E P-glycoprotein 3 (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-1-E Cyclooxygenase-1 (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-1-E Cyclooxygenase-2 (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG-1-E Peroxisome proliferator-activated receptor gamma (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS-1-E Thromboxane-A synthase (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100741-2-O MC9 (Mast cells) (cluster #2 of 2) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203-1-O A375 (cluster #1 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104297-1-O Glutamate NMDA receptor; GRIN1/GRIN2B (cluster #1 of 1) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104302-1-O Glutamate NMDA receptor (cluster #1 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50416-1-O Aspergillus fumigatus (cluster #1 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-1-O Plasmodium falciparum (cluster #1 of 22) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-4-O Plasmodium falciparum (cluster #4 of 22) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466-4-O Trypanosoma cruzi (cluster #4 of 8) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467-3-O Trichomonas vaginalis (cluster #3 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-5-O Homo sapiens (cluster #5 of 9) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-11-O Rattus norvegicus (cluster #11 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-12-O Rattus norvegicus (cluster #12 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602-2-O Human herpesvirus 1 (cluster #2 of 5) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658-1-O Human immunodeficiency virus 2 (cluster #1 of 4) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80145-3-O H69 (cluster #3 of 4) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80243-1-O MDA-MB-453 (Breast adenocarcinoma cells) (cluster #1 of 1) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80294-1-O MT2 (Lymphocytes) (cluster #1 of 1) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-1-O P388 (Lymphoma cells) (cluster #1 of 8) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414-1-O Raji (B-lymphoblastic cells) (cluster #1 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80566-1-O U-937 (Histiocytic lymphoma cells) (cluster #1 of 2) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-2-O T47D (Breast carcinoma cells) (cluster #2 of 7) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81017-1-O WiDr (Colon adenocarcinoma cells) (cluster #1 of 5) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-1-O HepG2 (Hepatoblastoma cells) (cluster #1 of 8) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024-1-O NCI-H460 (Non-small cell lung carcinoma) (cluster #1 of 8) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81047-1-O Human T-cell line (cluster #1 of 2) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81184-1-O LOX IMVI (Melanoma cells) (cluster #1 of 5) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-2-O HeLa (Cervical adenocarcinoma cells) (cluster #2 of 9) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331-1-O SW-620 (Colon adenocarcinoma cells) (cluster #1 of 6) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B-1-E Serotonin 1b (5-HT1b) receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR-1-E Adenosine A2a receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHA3-2-E Neuronal acetylcholine receptor protein alpha-3 subunit (cluster #2 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB2-1-E Neuronal acetylcholine receptor protein beta-2 subunit (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4-1-E Neuronal acetylcholine receptor protein beta-4 subunit (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR1-1-E Angiotensin II type 1a (AT-1a) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTR2-1-E Angiotensin II type 2 (AT-2) receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR-2-E Androgen Receptor (cluster #2 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR-3-E Androgen Receptor (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATP4A-1-E Potassium-transporting ATPase alpha chain 1 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ATP4B-1-E Potassium-transporting ATPase beta chain (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1E-1-E Voltage-gated R-type calcium channel alpha-1E subunit (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1F-1-E Voltage-gated L-type calcium channel alpha-1F subunit (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH1-1-E Carbonic anhydrase I (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2-1-E Carbonic anhydrase II (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4-1-E Carbonic anhydrase IV (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLTR1-1-E Cysteinyl leukotriene receptor 1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD3-1-E Dopamine D3 receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4-1-E Dopamine D4 receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPBAR-2-E G-protein coupled bile acid receptor 1 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITA5-1-E Fibronectin receptor alpha (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LKHA4-1-E Leukotriene A4 hydrolase (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 of 7) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 of 7) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE2-1-E Glutamate [NMDA] receptor subunit epsilon 2 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE3-2-E Glutamate [NMDA] receptor subunit epsilon 3 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1-2-E Glutamate (NMDA) receptor subunit zeta 1 (cluster #2 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4B-1-E Phosphodiesterase 4B (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE4D-1-E Phosphodiesterase 4D (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-2-E Cyclooxygenase-1 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARG-2-E Peroxisome proliferator-activated receptor gamma (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR-1-E Progesterone receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PRGR-2-E Progesterone receptor (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRA-1-E Retinoid X receptor alpha (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-1-E Dopamine transporter (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN8A-1-E Sodium channel protein type VIII alpha subunit (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100489-1-O eosinophils (Eosinophils) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101865-1-O Leishmania chagasi (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102213-1-O Blood (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104282-1-O Acetylcholine receptor; alpha1/beta1/delta/gamma (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104288-1-O Neuronal acetylcholine receptor; alpha3/beta4 (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380-1-O Mycobacterium smegmatis (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380-2-O Mycobacterium smegmatis (cluster #2 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-15-O Plasmodium falciparum (cluster #15 of 22) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426-3-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #3 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50436-1-O Filobasidiella neoformans (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442-1-O Candida albicans (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50444-1-O Candida parapsilosis (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50452-1-O Trichophyton rubrum (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50457-1-O Leishmania amazonensis (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50458-3-O Leishmania braziliensis (cluster #3 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50460-3-O Leishmania major (cluster #3 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466-2-O Trypanosoma cruzi (cluster #2 of 8) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468-1-O Giardia intestinalis (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-3-O Cavia porcellus (cluster #3 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-5-O Cavia porcellus (cluster #5 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588-6-O Canis familiaris (cluster #6 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50590-1-O Sus scrofa (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643-2-O Hepatitis C virus (cluster #2 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80006-1-O 3T3-L1 (Fibroblast cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80008-1-O 5637 (Epithelial bladder carcinoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80025-1-O ACHN (Renal adenocarcinoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80026-1-O AGS (Gastric adenocarcinoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80039-1-O BGC-823 (Stomach adenocarcinoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054-1-O Caco-2 (Colon adenocarcinoma cells) (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076-1-O CEM-SS (T-cell leukemia) (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80132-1-O EL4 (Thymoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-1-O HL-60 (Promyeloblast leukemia cells) (cluster #1 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164-1-O HT-1080 (Fibrosarcoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-12-O HT-29 (Colon adenocarcinoma cells) (cluster #12 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80169-1-O Huh-7 (Hepatocellular carcinoma) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80188-1-O KB 3-1 (Cervical epithelial carcinoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-2-O MCF7 (Breast carcinoma cells) (cluster #2 of 14) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80227-1-O MCF7-ADR (Breast carcinoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80269-1-O MKN-45 (Gastric adenocarcinoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285-2-O MOLT-4 (Acute T-lymphoblastic leukemia cells) (cluster #2 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-6-O MT4 (Lymphocytes) (cluster #6 of 8) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80364-1-O P388/ADR (Lymphoma cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80387-3-O PC-12 (Adrenal phaeochromacytoma cells) (cluster #3 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-3-O PC-3 (Prostate carcinoma cells) (cluster #3 of 10) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80409-1-O R2 (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80419-1-O RBL-1 (Basophilic leukemia cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80433-1-O RPMI-8226 (Multiple myeloma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466-1-O SF268 (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80468-1-O SF-295 (Glioblastoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475-1-O SK-BR-3 (Breast adenocarcinoma) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80482-2-O SK-MEL-2 (Melanoma cells) (cluster #2 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485-1-O SK-MEL-28 (Melanoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493-1-O SK-OV-3 (Ovarian carcinoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493-2-O SK-OV-3 (Ovarian carcinoma cells) (cluster #2 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80495-1-O SK-VLB (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526-1-O SW480 (Colon adenocarcinoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80532-1-O T-24 (Bladder carcinoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548-1-O THP-1 (Acute monocytic leukemia cells) (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80559-1-O U251 (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80560-1-O U-251 (Glioma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80561-1-O U2OS (Osteosarcoma cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80563-1-O U-373 MG ( Glioblastoma cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80565-1-O U-87 MG (Glioblastoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80566-2-O U-937 (Histiocytic lymphoma cells) (cluster #2 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-1-O Vero (Kidney cells) (cluster #1 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80600-2-O XF498 (Glioma cells) (cluster #2 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80640-1-O 786-0 (Renal carcinoma cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80697-1-O Bel-7402 (Hepatoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80711-1-O NCI/ADR-RES (Breast carcinoma cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80799-1-O RPMI 8402 (Pre-T-lymphoblastoid cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80902-1-O HASMC (Aortic smooth muscle cells) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928-2-O HCT-116 (Colon carcinoma cells) (cluster #2 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928-3-O HCT-116 (Colon carcinoma cells) (cluster #3 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945-1-O HEp-2 (Laryngeal carcinoma cells) (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81054-1-O SF-268 (Glioblastoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057-1-O HUVEC (Umbilical vein endothelial cells) (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81117-1-O Keratinocytes (Keratinocytes) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81133-1-O L1210 (1565) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135-1-O L6 (Skeletal muscle myoblast cells) (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135-4-O L6 (Skeletal muscle myoblast cells) (cluster #4 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81248-1-O Malme-3M (Melanoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81281-1-O NCI-H23 (Non-small cell lung carcinoma cells) (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335-1-O HCT-15 (Colon adenocarcinoma cells) (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335-2-O HCT-15 (Colon adenocarcinoma cells) (cluster #2 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338-3-O T-cells (cluster #3 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1F-1-E Serotonin 1f (5-HT1f) receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A-1-E Serotonin 2a (5-HT2a) receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A-2-E Serotonin 2a (5-HT2a) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B-2-E Serotonin 2b (5-HT2b) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-1-E 5-hydroxytryptamine receptor 2C (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA3R-1-E Adenosine A3 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABCC8-1-E Sulfonylurea receptor 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1-1-E Tyrosine-protein kinase ABL (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ABL1-2-E Tyrosine-protein kinase ABL (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1-2-E Muscarinic acetylcholine receptor M1 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2-1-E Muscarinic acetylcholine receptor M2 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-2-E Alpha-1a adrenergic receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1B-1-E Alpha-1b adrenergic receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D-4-E Alpha-1d adrenergic receptor (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2A-1-E Alpha-2a adrenergic receptor (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2B-1-E Alpha-2b adrenergic receptor (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA2C-1-E Alpha-2c adrenergic receptor (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY2-1-E Adenylate cyclase type II (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADCY5-1-E Adenylate cyclase type V (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRA-1-E Angiotensin II type 1a (AT-1a) receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AGTRB-1-E Angiotensin II type 1b (AT-1b) receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AL5AP-1-E 5-lipoxygenase activating protein (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCR-1-E Breakpoint cluster region protein (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCR-2-E Breakpoint cluster region protein (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2-2-E Carbonic anhydrase II (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH4-2-E Carbonic anhydrase IV (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CLTR2-1-E Cysteinyl leukotriene receptor 2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP17A-1-E Cytochrome P450 17A1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR4-1-E C-X-C chemokine receptor type 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD5-1-E Dopamine D5 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DYR-1-B Dihydrofolate reductase (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG1-2-E Squalene monooxygenase (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERG7-2-E Lanosterol synthase (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR1-1-E Estrogen-related receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR2-1-E Estrogen-related receptor beta (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1-1-E Estrogen receptor alpha (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1-2-E Estrogen receptor alpha (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
FDFT-2-E Squalene synthetase (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1-1-E GABA receptor alpha-1 subunit (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1-4-E GABA receptor alpha-1 subunit (cluster #4 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2-1-E GABA receptor alpha-2 subunit (cluster #1 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB2-1-E GABA receptor beta-2 subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG1-2-E GABA receptor gamma-1 subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2-1-E GABA receptor gamma-2 subunit (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GCR-2-E Glucocorticoid receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPER-1-E G-protein coupled estrogen receptor 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2-2-E Histamine H2 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH3-2-E Histamine H3 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
IRK11-1-E Potassium channel, inwardly rectifying, subfamily J, member 11 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIT-1-E Stem cell growth factor receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MCR-2-E Mineralocorticoid receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK-1-E Kappa opioid receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRM-1-E Mu opioid receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX2-1-E P2X purinoceptor 2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX3-1-E P2X purinoceptor 3 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y12-1-E Purinergic receptor P2Y12 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3A-1-E Phosphodiesterase 3A (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PDE3B-1-E Phosphodiesterase 3B (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PE2R4-1-E Prostanoid EP4 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PF2R-1-E Prostaglandin F2-alpha receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGFRA-1-E Platelet-derived growth factor receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-2-E Norepinephrine transporter (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A1-1-E Steroid 5-alpha-reductase 1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S5A2-1-E Steroid 5-alpha-reductase 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11-1-E GABA transporter 3 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13-1-E GABA transporter 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SCN2A-2-E Sodium channel protein type II alpha subunit (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP1-1-E DNA topoisomerase I (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2A-1-E DNA topoisomerase II alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TOP2B-1-E DNA topoisomerase II beta (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1-6-E Transient receptor potential cation channel subfamily A member 1 (cluster #6 of 6) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
VDR-1-E Vitamin D receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081-1-O PBMC (Peripheral blood mononuclear cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081-3-O PBMC (Peripheral blood mononuclear cells) (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100499-1-O SARS coronavirus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100515-1-O HPAC (Pancreatic adenocarcinoma) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100519-1-O KETR3 (Renal carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100733-1-O CT26 (Colon carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100748-2-O Neutrophils (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101829-1-O HBV genotype D (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101839-1-O HIV-1 M:B_Lai (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102013-1-O Plasmodium malariae (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102015-1-O Plasmodium vivax (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102020-1-O Porcine endogenous retrovirus (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102116-2-O Toxoplasma gondii RH (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102121-2-O Trichophyton mentagrophytes (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102121-3-O Trichophyton mentagrophytes (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306-4-O Aorta (cluster #4 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102372-1-O Aorta (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102380-2-O Ileum (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103176-2-O Entamoeba invadens (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103196-1-O 22RV1 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103204-1-O A427 (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103204-2-O A427 (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205-1-O A431 (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103219-1-O Ca9-22 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104298-1-O Glutamate NMDA receptor; GRIN1/GRIN2A (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038-1-O Plasmodium yoelii yoelii (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50046-2-O Trichophyton quinckeanum (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50142-1-O Influenza A virus (A/PR/8/34(H1N1)) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185-3-O Staphylococcus aureus (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50212-1-O Escherichia coli (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50266-1-O Enterococcus faecium (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50274-1-O Aspergillus flavus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50274-2-O Aspergillus flavus (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50275-1-O Aspergillus niger (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50275-2-O Aspergillus niger (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50347-3-O Saccharomyces cerevisiae (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50362-1-O Lactobacillus casei (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50408-1-O Issatchenkia orientalis (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50409-2-O Kluyveromyces marxianus (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422-1-O Entamoeba histolytica (cluster #1 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422-2-O Entamoeba histolytica (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50424-1-O Cryptosporidium parvum (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-13-O Plasmodium falciparum (cluster #13 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-17-O Plasmodium falciparum (cluster #17 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-2-O Plasmodium falciparum (cluster #2 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-6-O Plasmodium falciparum (cluster #6 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-9-O Plasmodium falciparum (cluster #9 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426-1-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50443-1-O Candida glabrata (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50446-1-O Candida tropicalis (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459-1-O Leishmania donovani (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50461-2-O Leishmania mexicana (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467-1-O Trichomonas vaginalis (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472-2-O Toxoplasma gondii (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50473-1-O Plasmodium berghei (cluster #1 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50515-1-O Human herpesvirus 2 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50518-3-O Human herpesvirus 4 (cluster #3 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50527-1-O Human herpesvirus 3 (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50574-1-O Xenopus sp. (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-3-O Homo sapiens (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50589-1-O Felis catus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592-1-O Oryctolagus cuniculus (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-7-O Mus musculus (cluster #7 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-2-O Human immunodeficiency virus 1 (cluster #2 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-5-O Human immunodeficiency virus 1 (cluster #5 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50612-1-O Moloney murine sarcoma virus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50614-1-O Human T-lymphotropic virus 1 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50624-1-O Human adenovirus type 2 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641-1-O West Nile virus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658-2-O Human immunodeficiency virus 2 (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658-3-O Human immunodeficiency virus 2 (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50678-2-O Respiratory syncytial virus (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50681-1-O Duck hepatitis B virus (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50755-1-O Anas sp. (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80001-1-O 143B (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80017-1-O A2780cisR (Cisplatin-resistant ovarian carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80018-2-O A-375 (Malignant melanoma cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80019-1-O A-427 (Lung carcinoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80021-3-O A498 (Renal carcinoma cells) (cluster #3 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035-1-O B16 (Melanoma cells) (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80036-1-O BaF3 (IL-3-dependent pro-B-cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80051-1-O C6-BU-1 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80063-1-O CCRF S-180 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80067-1-O CCRF-HSB-2 (T-cell leukemia cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80068-1-O CCRF-SB (Lymphoblastic leukemia cells) (cluster #1 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80071-1-O CEM-0 (T-cell leukemia) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80073-1-O CEM-c113 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076-2-O CEM-SS (T-cell leukemia) (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80077-1-O CEM-TK(-) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80079-1-O CEM-V (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088-1-O CHO (Ovarian cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80091-1-O CHO-hD3 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80092-1-O CHO-K1 (Ovarian cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80099-1-O COLO 205 (Colon adenocarcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80100-1-O COLO 320 (Colon adenocarcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80105-1-O COR-L23 (Lung carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80105-2-O COR-L23 (Lung carcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80112-1-O DAN-G (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80114-1-O Daudi (Burkitts lymphoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125-2-O DU-145 (Prostate carcinoma) (cluster #2 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125-3-O DU-145 (Prostate carcinoma) (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80126-2-O DuPro (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80133-1-O EMT6 (Mammary carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80138-1-O G-361 (Melanoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80152-1-O HCT-8 (Ileocecal adenocarcinoma) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-5-O HL-60 (Promyeloblast leukemia cells) (cluster #5 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-2-O HT-29 (Colon adenocarcinoma cells) (cluster #2 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-4-O HT-29 (Colon adenocarcinoma cells) (cluster #4 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80171-1-O HuTu80 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80175-1-O IMR-32 (Neuroblastoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80178-2-O J774.A1 (Macrophage cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-2-O K562 (Erythroleukemia cells) (cluster #2 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-4-O K562 (Erythroleukemia cells) (cluster #4 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80192-1-O KM12 (Colon adenocarcinoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-1-O L1210 (Lymphocytic leukemia cells) (cluster #1 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80214-1-O M14 (Melanoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80214-2-O M14 (Melanoma cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-12-O MCF7 (Breast carcinoma cells) (cluster #12 of 14) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-3-O MCF7 (Breast carcinoma cells) (cluster #3 of 14) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-9-O MCF7 (Breast carcinoma cells) (cluster #9 of 14) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80226-1-O MCF7-2A (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80232-1-O MCF7-VP (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80240-1-O MDA-MB-361 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244-3-O MDA-MB-468 (Breast adenocarcinoma) (cluster #3 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244-4-O MDA-MB-468 (Breast adenocarcinoma) (cluster #4 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80254-1-O MES-SA (Uterine sarcoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80255-2-O MES-SA/DxS (Uterine sarcoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80267-1-O MKN-1 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285-1-O MOLT-4 (Acute T-lymphoblastic leukemia cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291-1-O MRC5 (Embryonic lung fibroblast cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-1-O MT4 (Lymphocytes) (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80316-1-O NCI-H128 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80322-2-O NCI-H358 (Lung carcinama cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80330-1-O NCI-N87 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80334-1-O NG108-15 (Neuroblastoma-glioma hybrid cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354-1-O OVCAR-3 (Ovarian adenocarcinoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354-4-O OVCAR-3 (Ovarian adenocarcinoma cells) (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80356-1-O OVCAR-5 (Ovarian adenocarcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80357-1-O OVCAR-8 (Ovarian adenocarcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-6-O P388 (Lymphoma cells) (cluster #6 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-8-O P388 (Lymphoma cells) (cluster #8 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80367-1-O P388/S (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80389-1-O PC-14 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-2-O PC-3 (Prostate carcinoma cells) (cluster #2 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80407-1-O R1 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80408-1-O R1-CCRF-CEM (Lymphoblastic leukemia) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80410-1-O R2-CCRF-CEM (Lymphoblastic leukemia) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80411-1-O R30dm-CCRF-CEM (Lymphoblastic leukemia) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418-1-O RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418-2-O RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #2 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80429-1-O RPMI 6410 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80437-1-O RWLeu4 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80441-1-O RXF 944 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80443-1-O S180 (Sarcoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80455-1-O SCC-15 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80457-1-O SCC-25 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80459-1-O SCC-7 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80472-1-O SiHa (Cervical squamous cell carcinoma) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475-2-O SK-BR-3 (Breast adenocarcinoma) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80477-1-O SK_HEP1 (Hepatoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80479-1-O SK-MEL (Melanoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80481-1-O SK-MEL-1 (Metastatic melanoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80482-1-O SK-MEL-2 (Melanoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80482-3-O SK-MEL-2 (Melanoma cells) (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80488-2-O SK-MEL-5 (Melanoma cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80490-3-O SK-MES-1 (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80491-2-O SK-N-MC (Neuroepithelioma cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80492-1-O SK-N-SH (Neuroblastoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80492-2-O SK-N-SH (Neuroblastoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80500-1-O SNB-7 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80503-1-O SNU1 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80509-1-O SNU-638 (Gastric carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80552-1-O TLX-5 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80559-2-O U251 (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80568-1-O UACC-257 (Melanoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80570-3-O UACC-62 (Melanoma cells) (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80574-2-O UMUC3 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80575-1-O UO-31 (Renal carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80581-1-O VA13 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-7-O Vero (Kidney cells) (cluster #7 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80595-1-O WIL2-NS (Lymphoblastoid cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80596-1-O WISH (Amniotic epithelial cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608-1-O ZR-75-1 (Breast carcinoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80623-1-O Panel (56 tumour cell lines) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80657-1-O A253 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80661-1-O A704 (Renal carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80672-1-O ADR5000 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80678-1-O AMML cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-11-O A549 (Lung carcinoma cells) (cluster #11 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-3-O A549 (Lung carcinoma cells) (cluster #3 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-6-O A549 (Lung carcinoma cells) (cluster #6 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-7-O A549 (Lung carcinoma cells) (cluster #7 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-8-O A549 (Lung carcinoma cells) (cluster #8 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-1-O T47D (Breast carcinoma cells) (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-3-O T47D (Breast carcinoma cells) (cluster #3 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80726-1-O TRAMP-C1A (Prostate carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80730-1-O C2D cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80731-1-O C2G cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80732-1-O TRAMP-C2H (Prostate carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80735-1-O C38 (Colon carcinoma) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80742-1-O C6 (Glioma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80752-1-O carcinoma cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80768-1-O CH1 (Ovarian carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80773-1-O CHRC/5 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80774-1-O CHRC5 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80777-1-O CML/BC cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80784-1-O Col2 (Colon carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80789-1-O Colon 38 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80801-2-O CRL-7065 cell line (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80815-1-O D54 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80819-1-O J774.2 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80830-1-O Ehrlich (Ehrlich ascites carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80846-1-O F460pv8/eto cell line (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80847-1-O FaDu (Pharyngeal carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852-1-O A-431 (Epidermoid carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80870-2-O GM892A cell line (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80887-1-O H2981 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80889-1-O NCI-H322M (Non-small cell lung carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80890-1-O H350.3 (MTX-resistant Reuber hepatoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80893-1-O H35 (Reuber hepatoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80896-1-O NCI-H69 (Small cell lung carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80897-1-O H9 (T-lymphoid cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80920-1-O HCC 2998 (Colon adenocarcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928-6-O HCT-116 (Colon carcinoma cells) (cluster #6 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936-1-O HEK293 (Embryonic kidney fibroblasts) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80943-1-O HEL 299 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80947-1-O Hepatoblastoma cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80949-1-O Hepatoma cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80951-2-O NIH3T3 (Fibroblasts) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81005-1-O HTB-54 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81006-1-O Human breast 401NL tumor cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81008-1-O Human breast cancer cell lines (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-2-O HepG2 (Hepatoblastoma cells) (cluster #2 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-3-O HepG2 (Hepatoblastoma cells) (cluster #3 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-5-O HepG2 (Hepatoblastoma cells) (cluster #5 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-7-O HepG2 (Hepatoblastoma cells) (cluster #7 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81025-1-O Human lung LXF 529L tumor cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81026-1-O Human lung LXF 629L tumor cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81028-1-O Human melanoma cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-1-O A2780 (Ovarian carcinoma cells) (cluster #1 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-2-O A2780 (Ovarian carcinoma cells) (cluster #2 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81043-1-O N592 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81065-1-O IGROV-1 (Ovarian adenocarcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81068-1-O Ishikawa (Uterine carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072-1-O Jurkat (Acute leukemic T-cells) (cluster #1 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81077-1-O KATO III cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81084-1-O KB VCR R (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81101-1-O KBM-3 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81102-1-O KBM-3/DOX cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81117-2-O Keratinocytes (Keratinocytes) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81134-1-O L2987 (Lung adenocarcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81160-1-O Lewis lung carcinoma cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81164-1-O LL cell line (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81166-1-O LLC cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81167-1-O LLTC cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81186-2-O LS174T (Colon adencocarcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81192-1-O PC-8 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81193-1-O PC-9 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81201-1-O HOP-62 (Non-small cell lung carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81211-1-O LXFL529 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244-1-O J774 (Macrophage cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-3-O HeLa (Cervical adenocarcinoma cells) (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-3-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #3 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-4-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #4 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-5-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #5 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-7-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #7 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81257-1-O MEL-AC cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81261-1-O UACC-375 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81267-1-O Mononuclear cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81277-2-O NCI-N417 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81280-1-O NCI-H226 (Non-small cell lung carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81283-1-O NCI-H522 (Non-small cell lung carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81284-1-O NCI-H647 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81298-1-O PE cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81322-1-O SF-539 (Glioblastoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81325-1-O SR (Leukemia cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81338-2-O T-cells (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81341-1-O Tumor cell lines (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81342-1-O tumour cell lines (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase