UCSF

KeyOrganics

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

Functional 10μM Targets with Highest Number of Available Compounds (218 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
TAAR1-2-E Trace amine-associated receptor 1 (cluster #2 of 2) Eukaryotes 16 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2-2-E HM74 nicotinic acid GPCR (cluster #2 of 3) Eukaryotes 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422-3-O Entamoeba histolytica (cluster #3 of 5) Other 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50468-2-O Giardia intestinalis (cluster #2 of 4) Other 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-2-O K562 (Erythroleukemia cells) (cluster #2 of 11) Other 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-3-O Plasmodium falciparum (cluster #3 of 22) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 9) Other 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 12) 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
5HT2C-2-E 5-hydroxytryptamine receptor 2C (cluster #2 of 2) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-7-O Rattus norvegicus (cluster #7 of 12) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035-2-O B16 (Melanoma cells) (cluster #2 of 7) Other 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A3-1-E Dopamine transporter (cluster #1 of 1) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-11-O Plasmodium falciparum (cluster #11 of 22) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-3-O Homo sapiens (cluster #3 of 9) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-4-O Human immunodeficiency virus 1 (cluster #4 of 10) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-1-O HL-60 (Promyeloblast leukemia cells) (cluster #1 of 12) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-1-O P388 (Lymphoma cells) (cluster #1 of 8) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712-2-O T47D (Breast carcinoma cells) (cluster #2 of 7) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-2-O HeLa (Cervical adenocarcinoma cells) (cluster #2 of 9) Other 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
EGFR-1-E Epidermal growth factor receptor erbB1 (cluster #1 of 2) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
SC6A2-1-E Norepinephrine transporter (cluster #1 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPV1-1-E Vanilloid receptor (cluster #1 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-12-O Plasmodium falciparum (cluster #12 of 22) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50426-8-O Plasmodium falciparum (isolate K1 / Thailand) (cluster #8 of 9) 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
Z80387-1-O PC-12 (Adrenal phaeochromacytoma cells) (cluster #1 of 3) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-1-O CEM (T-cell leukemia) (cluster #1 of 7) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C-1-E 5-hydroxytryptamine receptor 2C (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
FPR2-2-E Lipoxin A4 receptor (cluster #2 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
GPR44-1-E G protein-coupled receptor 44 (cluster #1 of 2) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100492-1-O MCF10 (Normal breast epithelial cells) (cluster #1 of 1) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100766-1-O Radical scavenging activity (cluster #1 of 2) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50422-5-O Entamoeba histolytica (cluster #5 of 5) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-15-O Plasmodium falciparum (cluster #15 of 22) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-7-O Plasmodium falciparum (cluster #7 of 22) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-1-O Cavia porcellus (cluster #1 of 7) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-6-O Cavia porcellus (cluster #6 of 7) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530-3-O Human herpesvirus 5 (cluster #3 of 5) 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
Z50597-8-O Rattus norvegicus (cluster #8 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-3-O Human immunodeficiency virus 1 (cluster #3 of 10) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136-1-O FM3A (Breast carcinoma cells) (cluster #1 of 6) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-10-O L1210 (Lymphocytic leukemia cells) (cluster #10 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-2-O L1210 (Lymphocytic leukemia cells) (cluster #2 of 12) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
AA2AR-1-E Adenosine A2a receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1D-1-E Alpha-1d adrenergic receptor (cluster #1 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADRB1-1-E Beta-1 adrenergic receptor (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CXCR3-1-E C-X-C chemokine receptor type 3 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2-1-E Estrogen receptor beta (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FFAR1-1-E Free fatty acid receptor 1 (cluster #1 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
FPR1-2-E Formyl peptide receptor 1 (cluster #2 of 2) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
GRM5-3-E Metabotropic glutamate receptor 5 (cluster #3 of 5) 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
NMBR-1-E Neuromedin B receptor (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
Z101821-2-O H2N2 subtype (cluster #2 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z101822-2-O H3N2 subtype (cluster #2 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102317-1-O Brain (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
Z50590-1-O Sus scrofa (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50591-2-O Bos taurus (cluster #2 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-8-O Mus musculus (cluster #8 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-10-O Rattus norvegicus (cluster #10 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-1-O Human immunodeficiency virus 1 (cluster #1 of 10) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50652-2-O Influenza A virus (cluster #2 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088-3-O CHO (Ovarian cells) (cluster #3 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-9-O HL-60 (Promyeloblast leukemia cells) (cluster #9 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-4-O HT-29 (Colon adenocarcinoma cells) (cluster #4 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-10-O K562 (Erythroleukemia cells) (cluster #10 of 11) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186-11-O K562 (Erythroleukemia cells) (cluster #11 of 11) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193-7-O L1210 (Lymphocytic leukemia cells) (cluster #7 of 12) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-5-O MCF7 (Breast carcinoma cells) (cluster #5 of 14) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80354-1-O OVCAR-3 (Ovarian adenocarcinoma cells) (cluster #1 of 4) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362-3-O P388 (Lymphoma cells) (cluster #3 of 8) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390-1-O PC-3 (Prostate carcinoma cells) (cluster #1 of 10) 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
Z80532-3-O T-24 (Bladder carcinoma cells) (cluster #3 of 6) 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
Z80682-2-O A549 (Lung carcinoma cells) (cluster #2 of 11) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-3-O CEM (T-cell leukemia) (cluster #3 of 7) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80877-2-O NCI-H1299 (Non-small cell lung carcinoma) (cluster #2 of 2) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81017-3-O WiDr (Colon adenocarcinoma cells) (cluster #3 of 5) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81138-2-O ScN2a (Scrapie-infected neuroblastoma cells) (cluster #2 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-7-O HeLa (Cervical adenocarcinoma cells) (cluster #7 of 9) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252-3-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #3 of 11) Other 2 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-1-E Serotonin 2b (5-HT2b) receptor (cluster #1 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
5HT3A-1-E Serotonin 3a (5-HT3a) receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT6R-1-E 5-hydroxytryptamine receptor 6 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACES-1-E Acetylcholinesterase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM1-1-E Muscarinic acetylcholine receptor M1 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM2-3-E Muscarinic acetylcholine receptor M2 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM3-3-E Muscarinic acetylcholine receptor M3 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM4-3-E Muscarinic acetylcholine receptor M4 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACM5-3-E Muscarinic acetylcholine receptor M5 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADA1A-1-E Alpha-1a adrenergic receptor (cluster #1 of 2) 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
ALDR-1-E Aldose reductase (cluster #1 of 1) 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
APH1A-1-E Gamma-secretase subunit APH-1A (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
APH1B-1-E Gamma-secretase subunit APH-1B (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
GBRR2-3-E GABA receptor rho-2 subunit (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
GHSR-1-E Ghrelin receptor (cluster #1 of 1) 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
HRH3-1-E Histamine H3 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
KITH-1-E Thymidine kinase (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
NICA-1-E Nicastrin (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PEN2-1-E Gamma-secretase subunit PEN-2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PSN1-2-E Presenilin-1 (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
PSN2-2-E Presenilin-2 (cluster #2 of 2) Eukaryotes 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
Q9WTR4-2-E Norepinephrine transporter (cluster #2 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGFR1-1-E TGF-beta receptor type I (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TGFR2-1-E TGF-beta receptor type II (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TPOR-1-E Thrombopoietin receptor (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TRPA1-1-E Transient receptor potential cation channel subfamily A member 1 (cluster #1 of 6) 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
Z101736-1-O Colletotrichum coccodes (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
Z50038-2-O Plasmodium yoelii yoelii (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50142-2-O Influenza A virus (A/PR/8/34(H1N1)) (cluster #2 of 2) 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
Z50380-3-O Mycobacterium smegmatis (cluster #3 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418-3-O Trypanosoma brucei (cluster #3 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418-5-O Trypanosoma brucei (cluster #5 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425-1-O Plasmodium falciparum (cluster #1 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
Z50442-1-O Candida albicans (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50442-4-O Candida albicans (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50460-2-O Leishmania major (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
Z50466-7-O Trypanosoma cruzi (cluster #7 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50466-8-O Trypanosoma cruzi (cluster #8 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
Z50472-2-O Toxoplasma gondii (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-3-O Cavia porcellus (cluster #3 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50512-4-O Cavia porcellus (cluster #4 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587-4-O Homo sapiens (cluster #4 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50588-6-O Canis familiaris (cluster #6 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50592-8-O Oryctolagus cuniculus (cluster #8 of 8) 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
Z50602-2-O Human herpesvirus 1 (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50606-1-O Hepatitis B virus (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50607-10-O Human immunodeficiency virus 1 (cluster #10 of 10) 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
Z50643-4-O Hepatitis C virus (cluster #4 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
Z50677-3-O Human immunodeficiency virus (cluster #3 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005-1-O 3T3 (Fibroblast cells) (cluster #1 of 2) 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
Z80019-1-O A-427 (Lung carcinoma cells) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80024-2-O A9 (Fibroblast cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035-5-O B16 (Melanoma cells) (cluster #5 of 7) 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
Z80064-6-O CCRF-CEM (T-cell leukemia) (cluster #6 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80096-2-O CHO-TAX 5-6 (cluster #2 of 2) 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
Z80156-6-O HL-60 (Promyeloblast leukemia cells) (cluster #6 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164-4-O HT-1080 (Fibrosarcoma cells) (cluster #4 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166-12-O HT-29 (Colon adenocarcinoma cells) (cluster #12 of 12) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80179-1-O J82 (Bladder carcinoma cells) (cluster #1 of 1) 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
Z80211-1-O LoVo (Colon adenocarcinoma cells) (cluster #1 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211-2-O LoVo (Colon adenocarcinoma cells) (cluster #2 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80244-2-O MDA-MB-468 (Breast adenocarcinoma) (cluster #2 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80249-2-O MDCK (Kidney cells) (cluster #2 of 2) 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
Z80362-8-O P388 (Lymphoma cells) (cluster #8 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80387-3-O PC-12 (Adrenal phaeochromacytoma cells) (cluster #3 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
Z80418-7-O RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #7 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466-4-O SF268 (cluster #4 of 4) 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
Z80485-5-O SK-MEL-28 (Melanoma cells) (cluster #5 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493-6-O SK-OV-3 (Ovarian carcinoma cells) (cluster #6 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80563-1-O U-373 MG ( Glioblastoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80565-1-O U-87 MG (Glioblastoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608-4-O ZR-75-1 (Breast carcinoma cells) (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682-1-O A549 (Lung carcinoma cells) (cluster #1 of 11) 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
Z80682-9-O A549 (Lung carcinoma cells) (cluster #9 of 11) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80800-2-O MIA PaCa-2 (Pancreatic carcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-2-O CEM (T-cell leukemia) (cluster #2 of 7) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-7-O CEM (T-cell leukemia) (cluster #7 of 7) 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
Z80951-1-O NIH3T3 (Fibroblasts) (cluster #1 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954-4-O HFF (Foreskin fibroblasts) (cluster #4 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
Z81020-7-O HepG2 (Hepatoblastoma cells) (cluster #7 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024-8-O NCI-H460 (Non-small cell lung carcinoma) (cluster #8 of 8) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-10-O A2780 (Ovarian carcinoma cells) (cluster #10 of 10) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-3-O A2780 (Ovarian carcinoma cells) (cluster #3 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
Z81051-2-O Human Tumor Cell lines (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81052-1-O Human tumour cell line (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
Z81115-3-O KB (Squamous cell carcinoma) (cluster #3 of 6) 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
Z81247-1-O HeLa (Cervical adenocarcinoma cells) (cluster #1 of 9) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247-9-O HeLa (Cervical adenocarcinoma cells) (cluster #9 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
Z81252-9-O MDA-MB-231 (Breast adenocarcinoma cells) (cluster #9 of 11) 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
Z81335-1-O HCT-15 (Colon adenocarcinoma cells) (cluster #1 of 5) 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