UCSF

Ryan Scientific BB (Depleted)

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

Functional 10μM Targets with Highest Number of Available Compounds (451 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
Z50425-3-O Plasmodium falciparum (cluster #3 of 22) Other 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-1-O MCF7 (Breast carcinoma cells) (cluster #1 of 14) Other 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1-2-E Trace amine-associated receptor 1 (cluster #2 of 2) Eukaryotes 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-2-O L1210 (Lymphocytic leukemia cells) (cluster #2 of 12) Other 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-1-O A549 (Lung carcinoma cells) (cluster #1 of 11) Other 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-1-O PC-3 (Prostate carcinoma cells) (cluster #1 of 10) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-11-O Plasmodium falciparum (cluster #11 of 22) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 12) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-1-O HT-29 (Colon adenocarcinoma cells) (cluster #1 of 12) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-1-O K562 (Erythroleukemia cells) (cluster #1 of 11) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422-3-O Entamoeba histolytica (cluster #3 of 5) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468-2-O Giardia intestinalis (cluster #2 of 4) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-1-O Human immunodeficiency virus 1 (cluster #1 of 10) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-2-O HL-60 (Promyeloblast leukemia cells) (cluster #2 of 12) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-1-O CEM (T-cell leukemia) (cluster #1 of 7) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-1-E Alpha-1a adrenergic receptor (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D-1-E Alpha-1d adrenergic receptor (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
BCL2-1-E Apoptosis regulator Bcl-2 (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A4-1-E Serotonin transporter (cluster #1 of 1) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50038-1-O Plasmodium yoelii yoelii (cluster #1 of 2) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592-3-O Oryctolagus cuniculus (cluster #3 of 8) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-12-O Rattus norvegicus (cluster #12 of 12) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-7-O Rattus norvegicus (cluster #7 of 12) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064-1-O CCRF-CEM (T-cell leukemia) (cluster #1 of 9) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125-1-O DU-145 (Prostate carcinoma) (cluster #1 of 9) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414-1-O Raji (B-lymphoblastic cells) (cluster #1 of 3) 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
Z81024-1-O NCI-H460 (Non-small cell lung carcinoma) (cluster #1 of 8) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115-2-O KB (Squamous cell carcinoma) (cluster #2 of 6) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170-1-O LNCaP (Prostate carcinoma) (cluster #1 of 5) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-1-O HeLa (Cervical adenocarcinoma cells) (cluster #1 of 9) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-3-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #3 of 11) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335-1-O HCT-15 (Colon adenocarcinoma cells) (cluster #1 of 5) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR-1-E Epidermal growth factor receptor erbB1 (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB2-2-E Receptor protein-tyrosine kinase erbB-2 (cluster #2 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY1-1-E P2Y purinoceptor 1 (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
Q9WTR4-1-E Norepinephrine transporter (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100733-1-O CT26 (Colon carcinoma cells) (cluster #1 of 1) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-1-O Homo sapiens (cluster #1 of 9) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 9) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-2-O Rattus norvegicus (cluster #2 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
Z50606-1-O Hepatitis B virus (cluster #1 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80099-1-O COLO 205 (Colon adenocarcinoma cells) (cluster #1 of 3) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80132-1-O EL4 (Thymoma cells) (cluster #1 of 2) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-2-O MT4 (Lymphocytes) (cluster #2 of 8) 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
Z80563-1-O U-373 MG ( Glioblastoma cells) (cluster #1 of 1) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80697-1-O Bel-7402 (Hepatoma cells) (cluster #1 of 3) 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
Z81020-7-O HepG2 (Hepatoblastoma cells) (cluster #7 of 8) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-1-O A2780 (Ovarian carcinoma cells) (cluster #1 of 10) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072-1-O Jurkat (Acute leukemic T-cells) (cluster #1 of 10) 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
5HT2C-2-E 5-hydroxytryptamine receptor 2C (cluster #2 of 2) 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
GRIA1-3-E Glutamate receptor ionotropic, AMPA 1 (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2-3-E Glutamate receptor ionotropic, AMPA 2 (cluster #3 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA2-4-E Glutamate receptor ionotropic, AMPA 2 (cluster #4 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA3-2-E Glutamate receptor ionotropic, AMPA 3 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRIA4-3-E Glutamate receptor ionotropic, AMPA 4 (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM1-4-E Metabotropic glutamate receptor 1 (cluster #4 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6-2-E Metabotropic glutamate receptor 6 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM8-1-E Metabotropic glutamate receptor 8 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRA-1-B DNA gyrase subunit A (cluster #1 of 1) Bacteria 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRB-1-B DNA gyrase subunit B (cluster #1 of 1) Bacteria 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2-2-E HM74 nicotinic acid GPCR (cluster #2 of 3) 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
LUXP-1-B Autoinducer 2-binding periplasmic protein luxP (cluster #1 of 2) Bacteria 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR1-1-E P-glycoprotein 1 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
MDR3-1-E P-glycoprotein 3 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
NTR1-1-E Neurotensin receptor 1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRK-1-E Kappa opioid receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PPARA-1-E Peroxisome proliferator-activated receptor alpha (cluster #1 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
S6A11-2-E GABA transporter 3 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12-1-E Betaine transporter (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13-2-E GABA transporter 2 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1-1-E GABA transporter 1 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TS1R2-1-E Taste receptor type 1 member 2 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
TS1R3-1-E Taste receptor type 1 member 3 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100515-1-O HPAC (Pancreatic adenocarcinoma) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102015-1-O Plasmodium vivax (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102121-2-O Trichophyton mentagrophytes (cluster #2 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205-1-O A431 (cluster #1 of 4) 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
Z50046-1-O Trichophyton quinckeanum (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50136-2-O Plasmodium falciparum (isolate FcB1 / Columbia) (cluster #2 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185-2-O Staphylococcus aureus (cluster #2 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50186-1-O Staphylococcus epidermidis (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50339-1-O Pneumocystis carinii (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50408-1-O Issatchenkia orientalis (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50409-1-O Kluyveromyces marxianus (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50416-1-O Aspergillus fumigatus (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-12-O Plasmodium falciparum (cluster #12 of 22) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426-1-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #1 of 9) 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
Z50443-1-O Candida glabrata (cluster #1 of 1) 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
Z50459-2-O Leishmania donovani (cluster #2 of 8) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466-1-O Trypanosoma cruzi (cluster #1 of 8) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50473-4-O Plasmodium berghei (cluster #4 of 5) 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
Z50518-3-O Human herpesvirus 4 (cluster #3 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-2-O Mus musculus (cluster #2 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-7-O Mus musculus (cluster #7 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50599-1-O Cowpox virus (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50600-1-O Vaccinia virus (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-3-O Human immunodeficiency virus 1 (cluster #3 of 10) 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
Z50658-1-O Human immunodeficiency virus 2 (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677-1-O Human immunodeficiency virus (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50681-1-O Duck hepatitis B virus (cluster #1 of 2) 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
Z80019-1-O A-427 (Lung carcinoma cells) (cluster #1 of 4) 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
Z80040-1-O BHK-21 (Kidney cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80048-1-O BXPC-3 (Pancreatic adenocarcinoma cells) (cluster #1 of 1) 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
Z80056-1-O CAKI-2 (Renal carcinoma cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80106-1-O COS-1 (Kidney cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80120-1-O DLD-1 (Colon adenocarcinoma cells) (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80152-1-O HCT-8 (Ileocecal adenocarcinoma) (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-4-O HL-60 (Promyeloblast leukemia cells) (cluster #4 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
Z80186-6-O K562 (Erythroleukemia cells) (cluster #6 of 11) 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
Z80211-1-O LoVo (Colon adenocarcinoma cells) (cluster #1 of 5) 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
Z80269-1-O MKN-45 (Gastric adenocarcinoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80316-1-O NCI-H128 (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418-2-O RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #2 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80457-1-O SCC-25 (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466-1-O SF268 (cluster #1 of 4) 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
Z80475-3-O SK-BR-3 (Breast adenocarcinoma) (cluster #3 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
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
Z80561-1-O U2OS (Osteosarcoma 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
Z80583-1-O Vero (Kidney cells) (cluster #1 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-7-O Vero (Kidney cells) (cluster #7 of 7) 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
Z80712-2-O T47D (Breast carcinoma cells) (cluster #2 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80742-1-O C6 (Glioma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80847-1-O FaDu (Pharyngeal carcinoma cells) (cluster #1 of 3) 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
Z81020-1-O HepG2 (Hepatoblastoma cells) (cluster #1 of 8) 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
Z81072-6-O Jurkat (Acute leukemic T-cells) (cluster #6 of 10) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81184-1-O LOX IMVI (Melanoma cells) (cluster #1 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331-1-O SW-620 (Colon adenocarcinoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D-1-E Serotonin 1d (5-HT1d) receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA1R-1-E Adenosine A1 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR-1-E Adenosine A2a receptor (cluster #1 of 1) 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
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
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
ADRB2-1-E Beta-2 adrenergic receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ANDR-1-E Androgen Receptor (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ARP19-1-E cyclic AMP phosphoprotein (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
CA2D1-1-E Voltage-gated calcium channel alpha2/delta subunit 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH2-1-E Carbonic anhydrase II (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAH9-2-E Carbonic anhydrase IX (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CHK1-1-E Serine/threonine-protein kinase Chk1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR1-1-E Cannabinoid CB1 receptor (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CNR2-1-E Cannabinoid CB2 receptor (cluster #1 of 2) 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
DRD1-1-E Dopamine D1 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD2-1-E Dopamine D2 receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
DRD4-1-E Dopamine D4 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
EDNRA-1-E Endothelin receptor ET-A (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRB-1-E Endothelin receptor ET-B (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERBB4-1-E Receptor protein-tyrosine kinase erbB-4 (cluster #1 of 1) Eukaryotes 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
ESR1-1-E Estrogen receptor alpha (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2-1-E Estrogen receptor beta (cluster #1 of 2) 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
GBRA1-4-E GABA receptor alpha-1 subunit (cluster #4 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB1-2-E GABA receptor beta-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
GRIA4-2-E Glutamate receptor ionotropic, AMPA 4 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM2-1-E Metabotropic glutamate receptor 2 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM3-1-E Metabotropic glutamate receptor 3 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM4-1-E Metabotropic glutamate receptor 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5-5-E Metabotropic glutamate receptor 5 (cluster #5 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM6-1-E Metabotropic glutamate receptor 6 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH1-2-E Histamine H1 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HRH2-1-E Histamine H2 receptor (cluster #1 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
HRH4-2-E Histamine H4 receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
KIF11-1-E Kinesin-like protein 1 (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
MDR1-2-E P-glycoprotein 1 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDE1-1-E Glutamate [NMDA] receptor subunit epsilon 1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NMDZ1-1-E Glutamate (NMDA) receptor subunit zeta 1 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX1-1-E P2X purinoceptor 1 (cluster #1 of 1) 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
P2RX4-1-E P2X purinoceptor 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX5-1-E P2X purinoceptor 5 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RX6-1-E P2X purinoceptor 6 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY2-1-E Purinergic receptor P2Y2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2RY4-1-E Pyrimidinergic receptor P2Y4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
P2Y11-1-E Purinergic receptor P2Y11 (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
PGFRA-1-E Platelet-derived growth factor receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-1-E Cyclooxygenase-1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-2-E Cyclooxygenase-1 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-1-E Cyclooxygenase-2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q72547-1-V Human immunodeficiency virus type 1 reverse transcriptase (cluster #1 of 1) Viruses 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9BEG3-1-E Arachidonate 5-lipoxygenase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARA-1-E Retinoic acid receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARB-1-E Retinoic acid receptor beta (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RARG-1-E Retinoic acid receptor gamma (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-1-E Dopamine transporter (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR1-1-E Somatostatin receptor 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR2-1-E Somatostatin receptor 2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR3-1-E Somatostatin receptor 3 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR4-1-E Somatostatin receptor 4 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SSR5-1-E Somatostatin receptor 5 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TLR7-1-E Toll-like receptor 7 (cluster #1 of 1) 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
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
Z100081-4-O PBMC (Peripheral blood mononuclear cells) (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100492-1-O MCF10 (Normal breast epithelial cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100501-1-O Lu1 (Lung carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100731-1-O Bcap37 (Breast carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100752-1-O Renca (Renal carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100757-1-O SW1573 (Lung carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101736-1-O Colletotrichum coccodes (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101767-1-O Dengue virus 2 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101775-1-O Drosophila (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101794-1-O Felid herpesvirus 1 (cluster #1 of 1) 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
Z102306-4-O Aorta (cluster #4 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203-2-O A375 (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103204-2-O A427 (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103205-3-O A431 (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103267-1-O H4 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103348-1-O NCI-H2122 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103393-1-O SK-N-AS (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103407-1-O SW1990 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103408-1-O SW626 (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103413-1-O SW948 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104293-1-O Integrin alpha-4/beta-1 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z104297-1-O Glutamate NMDA receptor; GRIN1/GRIN2B (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
Z50185-3-O Staphylococcus aureus (cluster #3 of 4) 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
Z50362-1-O Lactobacillus casei (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380-2-O Mycobacterium smegmatis (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50380-3-O Mycobacterium smegmatis (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-15-O Plasmodium falciparum (cluster #15 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
Z50426-6-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #6 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442-2-O Candida albicans (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466-4-O Trypanosoma cruzi (cluster #4 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467-3-O Trichomonas vaginalis (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472-3-O Toxoplasma gondii (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-1-O Cavia porcellus (cluster #1 of 7) 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
Z50515-2-O Human herpesvirus 2 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50517-1-O Human herpesvirus 5 strain AD169 (cluster #1 of 2) 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
Z50527-3-O Human herpesvirus 3 (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530-1-O Human herpesvirus 5 (cluster #1 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50531-3-O Caenorhabditis elegans (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50573-1-O Xenopus laevis (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-5-O Homo sapiens (cluster #5 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588-2-O Canis familiaris (cluster #2 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-3-O Mus musculus (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-6-O Mus musculus (cluster #6 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-8-O Mus musculus (cluster #8 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-11-O Rattus norvegicus (cluster #11 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-3-O Rattus norvegicus (cluster #3 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50641-2-O West Nile virus (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50643-3-O Hepatitis C virus (cluster #3 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652-3-O Influenza A virus (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50658-4-O Human immunodeficiency virus 2 (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50678-1-O Respiratory syncytial 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
Z50759-2-O Dictyostelium discoideum (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80001-1-O 143B (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80008-1-O 5637 (Epithelial bladder carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80012-1-O A 172 (Glioblastoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80014-1-O A204 (Rhabdomyosarcoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80021-2-O A498 (Renal carcinoma cells) (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80026-1-O AGS (Gastric adenocarcinoma cells) (cluster #1 of 2) 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
Z80037-1-O Balb/MK (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80045-1-O BT-20 (Breast carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80052-1-O C8166 (Leukemic T-cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80055-1-O CAKI-1 (Kidney carcinoma cells) (cluster #1 of 2) 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
Z80068-3-O CCRF-SB (Lymphoblastic leukemia cells) (cluster #3 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076-1-O CEM-SS (T-cell leukemia) (cluster #1 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076-3-O CEM-SS (T-cell leukemia) (cluster #3 of 5) 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
Z80086-1-O CFPAC-1 (Pancreatic carcinoma cells) (cluster #1 of 1) 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
Z80115-1-O DC3F (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80135-1-O F9 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136-1-O FM3A (Breast carcinoma cells) (cluster #1 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80145-3-O H69 (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-1-O HL-60 (Promyeloblast leukemia cells) (cluster #1 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-12-O HL-60 (Promyeloblast leukemia cells) (cluster #12 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-8-O HL-60 (Promyeloblast leukemia cells) (cluster #8 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164-6-O HT-1080 (Fibrosarcoma cells) (cluster #6 of 6) 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
Z80186-2-O K562 (Erythroleukemia cells) (cluster #2 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-9-O K562 (Erythroleukemia cells) (cluster #9 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
Z80208-1-O L5178Y (Lymphoma cells) (cluster #1 of 2) 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
Z80224-12-O MCF7 (Breast carcinoma cells) (cluster #12 of 14) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-5-O MCF7 (Breast carcinoma cells) (cluster #5 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
Z80227-1-O MCF7-ADR (Breast carcinoma cells) (cluster #1 of 2) 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
Z80262-1-O NCI-H1975 (Bronchoalveolar carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285-2-O MOLT-4 (Acute T-lymphoblastic leukemia cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291-2-O MRC5 (Embryonic lung fibroblast cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-7-O MT4 (Lymphocytes) (cluster #7 of 8) 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
Z80354-1-O OVCAR-3 (Ovarian adenocarcinoma cells) (cluster #1 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
Z80362-8-O P388 (Lymphoma cells) (cluster #8 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80372-1-O P388CPT5 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80381-1-O PANC-1 (Pancreatic carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80387-1-O PC-12 (Adrenal phaeochromacytoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-3-O PC-3 (Prostate carcinoma cells) (cluster #3 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80401-1-O PSN1 (cluster #1 of 2) 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
Z80409-1-O R2 (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
Z80433-1-O RPMI-8226 (Multiple myeloma cells) (cluster #1 of 3) 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
Z80459-1-O SCC-7 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80468-1-O SF-295 (Glioblastoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80478-1-O SK-LU-1 (cluster #1 of 1) 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
Z80492-2-O SK-N-SH (Neuroblastoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80495-1-O SK-VLB (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80539-1-O T98G (Glioblastoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548-1-O THP-1 (Acute monocytic leukemia cells) (cluster #1 of 5) 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
Z80560-1-O U-251 (Glioma cells) (cluster #1 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
Z80575-1-O UO-31 (Renal carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-3-O Vero (Kidney cells) (cluster #3 of 7) 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
Z80647-1-O 833K cell line (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
Z80682-11-O A549 (Lung carcinoma cells) (cluster #11 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
Z80702-1-O BG-1 cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80711-1-O NCI/ADR-RES (Breast carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-6-O T47D (Breast carcinoma cells) (cluster #6 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
Z80751-1-O Caov-3 cell line (cluster #1 of 1) 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
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
Z80799-1-O RPMI 8402 (Pre-T-lymphoblastoid cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80800-1-O MIA PaCa-2 (Pancreatic carcinoma cells) (cluster #1 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
Z80830-1-O Ehrlich (Ehrlich ascites carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80852-3-O A-431 (Epidermoid carcinoma cells) (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80865-1-O GHOST CXCR4 cell line (cluster #1 of 1) 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
Z80890-1-O H350.3 (MTX-resistant Reuber hepatoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80891-1-O H4 (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
Z80898-1-O NCI-H928 (cluster #1 of 1) 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
Z80928-5-O HCT-116 (Colon carcinoma cells) (cluster #5 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80930-1-O HEC-1B cell line (cluster #1 of 1) 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
Z80942-1-O HEL (Embryonic lung cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80945-1-O HEp-2 (Laryngeal carcinoma cells) (cluster #1 of 4) 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
Z80954-1-O HFF (Foreskin fibroblasts) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954-2-O HFF (Foreskin fibroblasts) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80961-1-O HN5 (Squamous cell carcinoma) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80991-1-O Hs-578T (Breast carcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80996-1-O HT1197 (Bladder carcinoma cells) (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
Z81034-6-O A2780 (Ovarian carcinoma cells) (cluster #6 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057-1-O HUVEC (Umbilical vein endothelial cells) (cluster #1 of 4) 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
Z81072-2-O Jurkat (Acute leukemic T-cells) (cluster #2 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81080-1-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
Z81115-1-O KB (Squamous cell carcinoma) (cluster #1 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81133-1-O L1210 (1565) (cluster #1 of 1) 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
Z81135-1-O L6 (Skeletal muscle myoblast cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138-1-O ScN2a (Scrapie-infected neuroblastoma cells) (cluster #1 of 3) 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
Z81245-1-O MDA-MB-435 (Breast carcinoma cells) (cluster #1 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-5-O HeLa (Cervical adenocarcinoma cells) (cluster #5 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-7-O HeLa (Cervical adenocarcinoma cells) (cluster #7 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81248-1-O Malme-3M (Melanoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-6-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #6 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
Z81281-1-O NCI-H23 (Non-small cell lung carcinoma cells) (cluster #1 of 5) 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
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
Z81338-1-O T-cells (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase