Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM
| Name (Code) | Description | Organism Class | Size | Browse | Download (Annotations) |
|---|---|---|---|---|---|
| Z100405-1-O | MV4-11 (Myeloid leukemia cells) (cluster #1 of 1) | Other | 13 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80583-1-O | Vero (Kidney cells) (cluster #1 of 7) | Other | 11 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-2-O | K562 (Erythroleukemia cells) (cluster #2 of 11) | Other | 9 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80224-1-O | MCF7 (Breast carcinoma cells) (cluster #1 of 14) | Other | 9 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TRPV1-1-E | Vanilloid receptor (cluster #1 of 4) | Eukaryotes | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-3-O | Plasmodium falciparum (cluster #3 of 22) | Other | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ANDR-2-E | Androgen Receptor (cluster #2 of 3) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50597-1-O | Rattus norvegicus (cluster #1 of 12) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80120-1-O | DLD-1 (Colon adenocarcinoma cells) (cluster #1 of 5) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50592-3-O | Oryctolagus cuniculus (cluster #3 of 8) | 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 |
| CAC1C-1-E | Voltage-gated L-type calcium channel alpha-1C subunit (cluster #1 of 1) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1D-1-E | Voltage-gated L-type calcium channel alpha-1D subunit (cluster #1 of 1) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50512-6-O | Cavia porcellus (cluster #6 of 7) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50609-1-O | Simian immunodeficiency virus (cluster #1 of 2) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50650-1-O | Measles virus (cluster #1 of 1) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80166-1-O | HT-29 (Colon adenocarcinoma cells) (cluster #1 of 12) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80362-1-O | P388 (Lymphoma cells) (cluster #1 of 8) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80682-1-O | A549 (Lung carcinoma cells) (cluster #1 of 11) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81115-1-O | KB (Squamous cell carcinoma) (cluster #1 of 6) | 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 |
| CDN1A-1-E | CDK-interacting protein 1 (cluster #1 of 1) | 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 |
| GHSR-1-E | Ghrelin receptor (cluster #1 of 1) | 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 |
| HCAR2-2-E | HM74 nicotinic acid GPCR (cluster #2 of 3) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TBA1A-1-E | Tubulin alpha-1 chain (cluster #1 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TBB1-1-E | Tubulin beta-1 chain (cluster #1 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-11-O | Plasmodium falciparum (cluster #11 of 22) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50459-1-O | Leishmania donovani (cluster #1 of 8) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50587-3-O | Homo sapiens (cluster #3 of 9) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50600-1-O | Vaccinia virus (cluster #1 of 2) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50725-1-O | Trypanosoma brucei rhodesiense (cluster #1 of 7) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80211-1-O | LoVo (Colon adenocarcinoma cells) (cluster #1 of 5) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80243-1-O | MDA-MB-453 (Breast adenocarcinoma cells) (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80244-2-O | MDA-MB-468 (Breast adenocarcinoma) (cluster #2 of 7) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80387-3-O | PC-12 (Adrenal phaeochromacytoma cells) (cluster #3 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80491-3-O | SK-N-MC (Neuroepithelioma cells) (cluster #3 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-1-O | HCT-116 (Colon carcinoma cells) (cluster #1 of 9) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81247-2-O | HeLa (Cervical adenocarcinoma cells) (cluster #2 of 9) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81331-1-O | SW-620 (Colon adenocarcinoma cells) (cluster #1 of 6) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT2A-2-E | Serotonin 2a (5-HT2a) receptor (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) receptor (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT2C-1-E | 5-hydroxytryptamine receptor 2C (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1F-1-E | Voltage-gated L-type calcium channel alpha-1F subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1S-1-E | Voltage-gated L-type calcium channel alpha-1S subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD4-1-E | Dopamine D4 receptor (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ERR3-2-E | Estrogen-related receptor gamma (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GLR-1-E | Glucagon receptor (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GRM5-2-E | Metabotropic glutamate receptor 5 (cluster #2 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HRH1-1-E | Histamine H1 receptor (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HS90A-1-E | Heat shock protein HSP 90-alpha (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HS90B-1-E | Heat shock protein HSP 90-beta (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MCR-1-E | Mineralocorticoid receptor (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| NPY5R-1-E | Neuropeptide Y receptor type 5 (cluster #1 of 1) | 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 |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PTAFR-3-E | Platelet activating factor receptor (cluster #3 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TRPA1-2-E | Transient receptor potential cation channel subfamily A member 1 (cluster #2 of 6) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TRPA1-4-E | Transient receptor potential cation channel subfamily A member 1 (cluster #4 of 6) | 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 |
| Z100699-1-O | Chromobacterium violaceum (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102306-1-O | Aorta (cluster #1 of 6) | 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 |
| Z50422-3-O | Entamoeba histolytica (cluster #3 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50422-5-O | Entamoeba histolytica (cluster #5 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-9-O | Plasmodium falciparum (cluster #9 of 22) | 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 |
| Z50468-2-O | Giardia intestinalis (cluster #2 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50594-6-O | Mus musculus (cluster #6 of 9) | 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 |
| Z50597-12-O | Rattus norvegicus (cluster #12 of 12) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50651-1-O | Vesicular stomatitis virus (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80156-1-O | HL-60 (Promyeloblast leukemia cells) (cluster #1 of 12) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-1-O | K562 (Erythroleukemia cells) (cluster #1 of 11) | 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 |
| Z80427-1-O | RKO (Colon carcinoma) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80608-1-O | ZR-75-1 (Breast carcinoma cells) (cluster #1 of 4) | 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 |
| Z80772-1-O | BV-2 (Microglial cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80936-1-O | HEK293 (Embryonic kidney fibroblasts) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81011-1-O | human cell lines (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81057-1-O | HUVEC (Umbilical vein endothelial cells) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81072-1-O | Jurkat (Acute leukemic T-cells) (cluster #1 of 10) | 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 |
| Z81252-3-O | MDA-MB-231 (Breast adenocarcinoma cells) (cluster #3 of 11) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81331-6-O | SW-620 (Colon adenocarcinoma cells) (cluster #6 of 6) | Other | 2 | 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 |
| ANDR-3-E | Androgen Receptor (cluster #3 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 |
| CNR1-2-E | Cannabinoid CB1 receptor (cluster #2 of 2) | 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 |
| ECR-1-E | Ecdysone receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GRM1-1-E | Metabotropic glutamate receptor 1 (cluster #1 of 5) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GRM1-2-E | Metabotropic glutamate receptor 1 (cluster #2 of 5) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GRM5-1-E | Metabotropic glutamate receptor 5 (cluster #1 of 5) | 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 |
| HRH2-1-E | Histamine H2 receptor (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KCNH2-1-E | HERG (cluster #1 of 2) | 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 |
| LOX5-6-E | Arachidonate 5-lipoxygenase (cluster #6 of 7) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| LPAR2-4-E | Lysophosphatidic acid receptor Edg-4 (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 |
| LUXR-1-B | Transcriptional activator protein luxR (cluster #1 of 2) | Bacteria | 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 |
| NK3R-1-E | Neurokinin 3 receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| P97706-1-E | Sodium channel protein type VI alpha subunit (cluster #1 of 1) | 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 |
| 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 |
| PPARG-1-E | Peroxisome proliferator-activated receptor gamma (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN2A-2-E | Sodium channel protein type II alpha subunit (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN5A-1-E | Sodium channel protein type V alpha subunit (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100766-1-O | Radical scavenging activity (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101821-2-O | H2N2 subtype (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101841-1-O | Human adenovirus 37 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101900-1-O | Measles virus genotype A (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101901-1-O | Measles virus genotype D6 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101902-1-O | Measles virus genotype D7 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102178-2-O | Liver microsomes (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102342-1-O | Liver (cluster #1 of 1) | 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 |
| Z50378-1-O | Mycobacterium intracellulare (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50417-2-O | Leishmania infantum (cluster #2 of 4) | 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 |
| Z50425-12-O | Plasmodium falciparum (cluster #12 of 22) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-17-O | Plasmodium falciparum (cluster #17 of 22) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-7-O | Plasmodium falciparum (cluster #7 of 22) | 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 |
| Z50459-2-O | Leishmania donovani (cluster #2 of 8) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50460-1-O | Leishmania major (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50466-2-O | Trypanosoma cruzi (cluster #2 of 8) | 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 |
| Z50587-1-O | Homo sapiens (cluster #1 of 9) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50590-1-O | Sus scrofa (cluster #1 of 1) | 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 |
| Z50597-3-O | Rattus norvegicus (cluster #3 of 12) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50602-1-O | Human herpesvirus 1 (cluster #1 of 5) | 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 |
| 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 |
| Z50712-1-O | Human adenovirus type 5 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50725-7-O | Trypanosoma brucei rhodesiense (cluster #7 of 7) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80035-1-O | B16 (Melanoma cells) (cluster #1 of 7) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80035-2-O | B16 (Melanoma cells) (cluster #2 of 7) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80035-3-O | B16 (Melanoma cells) (cluster #3 of 7) | 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 |
| Z80156-2-O | HL-60 (Promyeloblast leukemia cells) (cluster #2 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 |
| Z80156-5-O | HL-60 (Promyeloblast leukemia cells) (cluster #5 of 12) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-6-O | K562 (Erythroleukemia cells) (cluster #6 of 11) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-10-O | L1210 (Lymphocytic leukemia cells) (cluster #10 of 12) | 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 |
| Z80418-2-O | RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #2 of 9) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80441-1-O | RXF 944 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80472-1-O | SiHa (Cervical squamous cell carcinoma) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80473-1-O | SISO (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80475-2-O | SK-BR-3 (Breast adenocarcinoma) (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80491-1-O | SK-N-MC (Neuroepithelioma cells) (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80523-1-O | SW1353 (cluster #1 of 2) | 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 |
| Z80583-2-O | Vero (Kidney cells) (cluster #2 of 7) | 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 |
| Z80682-2-O | A549 (Lung carcinoma cells) (cluster #2 of 11) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80874-1-O | CEM (T-cell leukemia) (cluster #1 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 |
| Z80928-2-O | HCT-116 (Colon carcinoma cells) (cluster #2 of 9) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-3-O | HCT-116 (Colon carcinoma cells) (cluster #3 of 9) | 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 |
| Z81000-1-O | HT-22 (Hippocampal cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81006-1-O | Human breast 401NL tumor cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81020-3-O | HepG2 (Hepatoblastoma cells) (cluster #3 of 8) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81024-5-O | NCI-H460 (Non-small cell lung carcinoma) (cluster #5 of 8) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81025-1-O | Human lung LXF 529L tumor cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81026-1-O | Human lung LXF 629L tumor cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81054-2-O | SF-268 (Glioblastoma cells) (cluster #2 of 3) | 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 |
| Z81146-1-O | LCLC-103H cell line (cluster #1 of 1) | 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 |