UCSF

Aronis

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

Functional 10μM Targets with Highest Number of Available Compounds (259 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
Z50425-3-O Plasmodium falciparum (cluster #3 of 22) Other 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH2-1-E Cyclooxygenase-2 (cluster #1 of 1) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100405-1-O MV4-11 (Myeloid leukemia cells) (cluster #1 of 1) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-1-O MCF7 (Breast carcinoma cells) (cluster #1 of 14) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-2-E Cyclooxygenase-1 (cluster #2 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426-9-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #9 of 9) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 12) 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
Z50597-7-O Rattus norvegicus (cluster #7 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1B-2-E Serotonin 1b (5-HT1b) receptor (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR1-1-E Interleukin-8 receptor A (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR2-1-E C-X-C chemokine receptor type 2 (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR-1-E Epidermal growth factor receptor erbB1 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR3-2-E Estrogen-related receptor gamma (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR1-1-E Estrogen receptor alpha (cluster #1 of 3) 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
GRIA3-2-E Glutamate receptor ionotropic, AMPA 3 (cluster #2 of 2) 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
GRM8-1-E Metabotropic glutamate receptor 8 (cluster #1 of 2) Eukaryotes 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
HMDH-1-E HMG-CoA reductase (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
LPAR2-4-E Lysophosphatidic acid receptor Edg-4 (cluster #4 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
OXYR-1-E Oxytocin receptor (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
PGH1-1-E Cyclooxygenase-1 (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
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
VGFR1-1-E Vascular endothelial growth factor receptor 1 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR2-1-E Vascular endothelial growth factor receptor 2 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
VGFR3-1-E Vascular endothelial growth factor receptor 3 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100766-1-O Radical scavenging activity (cluster #1 of 2) 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
Z50425-1-O Plasmodium falciparum (cluster #1 of 22) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-11-O Plasmodium falciparum (cluster #11 of 22) 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
Z50459-1-O Leishmania donovani (cluster #1 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
Z50466-7-O Trypanosoma cruzi (cluster #7 of 8) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-1-O Cavia porcellus (cluster #1 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-1-O Homo sapiens (cluster #1 of 9) 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
Z50592-3-O Oryctolagus cuniculus (cluster #3 of 8) 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
Z50600-1-O Vaccinia virus (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50602-2-O Human herpesvirus 1 (cluster #2 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606-1-O Hepatitis B virus (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50609-1-O Simian immunodeficiency virus (cluster #1 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50650-1-O Measles virus (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50725-1-O Trypanosoma brucei rhodesiense (cluster #1 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035-3-O B16 (Melanoma cells) (cluster #3 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076-2-O CEM-SS (T-cell leukemia) (cluster #2 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136-1-O FM3A (Breast carcinoma cells) (cluster #1 of 6) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-5-O HL-60 (Promyeloblast leukemia cells) (cluster #5 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291-2-O MRC5 (Embryonic lung fibroblast cells) (cluster #2 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80491-1-O SK-N-MC (Neuroepithelioma cells) (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80578-1-O UV4 (cluster #1 of 1) 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
Z80667-1-O AA8 (cluster #1 of 2) 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
Z80952-1-O HES (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-2-O HepG2 (Hepatoblastoma cells) (cluster #2 of 8) 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
Z81138-1-O ScN2a (Scrapie-infected neuroblastoma cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-5-O HeLa (Cervical adenocarcinoma cells) (cluster #5 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT1D-2-E Serotonin 1d (5-HT1d) receptor (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT4R-1-E Serotonin 4 (5-HT4) 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
AA2BR-1-E Adenosine A2b receptor (cluster #1 of 1) 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
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
ADA2B-3-E Alpha-2b adrenergic receptor (cluster #3 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
ANDR-2-E Androgen Receptor (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1C-1-E Voltage-gated L-type calcium channel alpha-1C subunit (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CAC1D-1-E Voltage-gated L-type calcium channel alpha-1D subunit (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ERR3-1-E Estrogen-related receptor gamma (cluster #1 of 2) 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
GABR1-1-E GABA-B receptor 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA1-5-E GABA receptor alpha-1 subunit (cluster #5 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA2-4-E GABA receptor alpha-2 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA3-4-E GABA receptor alpha-3 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA4-4-E GABA receptor alpha-4 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA5-4-E GABA receptor alpha-5 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRA6-4-E GABA receptor alpha-6 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRB3-2-E GABA receptor beta-3 subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRG2-2-E GABA receptor gamma-2 subunit (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR1-4-E GABA receptor rho-1 subunit (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR2-2-E GABA receptor rho-2 subunit (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GBRR3-1-E GABA receptor rho-3 subunit (cluster #1 of 1) 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
GPR44-1-E G protein-coupled receptor 44 (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
GYRA-1-B DNA gyrase subunit A (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GYRB-1-B DNA gyrase subunit B (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ICAM1-2-E Intercellular adhesion molecule-1 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ITAL-2-E Leukocyte adhesion glycoprotein LFA-1 alpha (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LOX5-3-E Arachidonate 5-lipoxygenase (cluster #3 of 7) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LPAR1-4-E Lysophosphatidic acid receptor Edg-2 (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
LPAR3-3-E Lysophosphatidic acid receptor Edg-7 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1A-1-E Melatonin receptor 1A (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1B-1-E Melatonin receptor 1B (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
MTR1C-1-E Melatonin receptor 1C (cluster #1 of 1) 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
NR1H4-2-E Bile acid receptor FXR (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
OPRD-1-E Delta 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
PARC-1-B Topoisomerase IV subunit A (cluster #1 of 1) Bacteria 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Q9WTR4-2-E Norepinephrine transporter (cluster #2 of 2) 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
RXRA-1-E Retinoid X receptor alpha (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRB-1-E Retinoid X receptor beta (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
RXRG-2-E Retinoid X receptor gamma (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A11-2-E GABA transporter 3 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A12-1-E Betaine transporter (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S6A13-2-E GABA transporter 2 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A1-1-E GABA transporter 1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
THAS-1-E Thromboxane-A synthase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1-4-E Transient receptor potential cation channel subfamily A member 1 (cluster #4 of 6) 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
TRPV1-1-E Vanilloid receptor (cluster #1 of 4) Eukaryotes 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
Z100497-1-O Bovine viral diarrhea virus (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101682-1-O BK polyomavirus (cluster #1 of 2) 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
Z101794-1-O Felid herpesvirus 1 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102213-1-O Blood (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102233-1-O Artery (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102306-1-O Aorta (cluster #1 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
Z103204-3-O A427 (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50117-1-O Pseudomonas aeruginosa (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50185-2-O Staphylococcus aureus (cluster #2 of 4) 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
Z50186-1-O Staphylococcus epidermidis (cluster #1 of 2) 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
Z50309-1-O Mycobacterium tuberculosis (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50339-1-O Pneumocystis carinii (cluster #1 of 2) 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
Z50378-1-O Mycobacterium intracellulare (cluster #1 of 1) 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
Z50417-1-O Leishmania infantum (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418-2-O Trypanosoma brucei (cluster #2 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420-3-O Trypanosoma brucei brucei (cluster #3 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50420-7-O Trypanosoma brucei brucei (cluster #7 of 7) 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
Z50422-3-O Entamoeba histolytica (cluster #3 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
Z50425-7-O Plasmodium falciparum (cluster #7 of 22) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459-2-O Leishmania donovani (cluster #2 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
Z50468-1-O Giardia intestinalis (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468-2-O Giardia intestinalis (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472-1-O Toxoplasma gondii (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-5-O Cavia porcellus (cluster #5 of 7) 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
Z50518-2-O Human herpesvirus 4 (cluster #2 of 5) 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
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
Z50587-3-O Homo sapiens (cluster #3 of 9) 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
Z50594-1-O Mus musculus (cluster #1 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
Z50597-10-O Rattus norvegicus (cluster #10 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
Z50607-1-O Human immunodeficiency virus 1 (cluster #1 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-3-O Human immunodeficiency virus 1 (cluster #3 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-4-O Human immunodeficiency virus 1 (cluster #4 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
Z50658-2-O Human immunodeficiency virus 2 (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005-2-O 3T3 (Fibroblast cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80021-4-O A498 (Renal carcinoma cells) (cluster #4 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80030-2-O ANN-1 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80040-1-O BHK-21 (Kidney cells) (cluster #1 of 1) 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
Z80064-3-O CCRF-CEM (T-cell leukemia) (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80068-2-O CCRF-SB (Lymphoblastic leukemia cells) (cluster #2 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
Z80099-3-O COLO 205 (Colon adenocarcinoma cells) (cluster #3 of 3) 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
Z80125-1-O DU-145 (Prostate carcinoma) (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125-5-O DU-145 (Prostate carcinoma) (cluster #5 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80132-2-O EL4 (Thymoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80135-1-O F9 (cluster #1 of 1) 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
Z80156-4-O HL-60 (Promyeloblast leukemia cells) (cluster #4 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-10-O HT-29 (Colon adenocarcinoma cells) (cluster #10 of 12) 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
Z80193-6-O L1210 (Lymphocytic leukemia cells) (cluster #6 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-2-O MCF7 (Breast carcinoma cells) (cluster #2 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
Z80224-4-O MCF7 (Breast carcinoma cells) (cluster #4 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
Z80231-2-O MCF7S (Breast carcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-2-O MT4 (Lymphocytes) (cluster #2 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295-4-O MT4 (Lymphocytes) (cluster #4 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80296-1-O MVLN (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80301-2-O N9 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-1-O P388 (Lymphoma cells) (cluster #1 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80377-2-O PaCa2 (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-8-O PC-3 (Prostate carcinoma cells) (cluster #8 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414-1-O Raji (B-lymphoblastic cells) (cluster #1 of 3) 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
Z80418-3-O RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #3 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80427-1-O RKO (Colon carcinoma) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80473-1-O SISO (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80475-1-O SK-BR-3 (Breast adenocarcinoma) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80491-3-O SK-N-MC (Neuroepithelioma cells) (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526-1-O SW480 (Colon adenocarcinoma cells) (cluster #1 of 6) 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
Z80548-4-O THP-1 (Acute monocytic leukemia cells) (cluster #4 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-1-O Vero (Kidney cells) (cluster #1 of 7) 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
Z80712-1-O T47D (Breast carcinoma cells) (cluster #1 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-2-O T47D (Breast carcinoma cells) (cluster #2 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
Z80712-4-O T47D (Breast carcinoma cells) (cluster #4 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-3-O CEM (T-cell leukemia) (cluster #3 of 7) 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
Z80936-3-O HEK293 (Embryonic kidney fibroblasts) (cluster #3 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
Z80954-1-O HFF (Foreskin fibroblasts) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954-3-O HFF (Foreskin fibroblasts) (cluster #3 of 4) 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
Z81034-2-O A2780 (Ovarian carcinoma cells) (cluster #2 of 10) 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
Z81068-1-O Ishikawa (Uterine carcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072-5-O Jurkat (Acute leukemic T-cells) (cluster #5 of 10) 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
Z81135-1-O L6 (Skeletal muscle myoblast cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138-2-O ScN2a (Scrapie-infected neuroblastoma cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170-2-O LNCaP (Prostate carcinoma) (cluster #2 of 5) 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
Z81247-2-O HeLa (Cervical adenocarcinoma cells) (cluster #2 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-4-O HeLa (Cervical adenocarcinoma cells) (cluster #4 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-1-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #1 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
Z81267-1-O Mononuclear cell line (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331-6-O SW-620 (Colon adenocarcinoma cells) (cluster #6 of 6) 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
Z81346-1-O Melanophores (Melanophore cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase