Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM
| Name (Code) | Description | Organism Class | Size | Browse | Download (Annotations) |
|---|---|---|---|---|---|
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 of 4) | Eukaryotes | 98 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2D6-1-E | Cytochrome P450 2D6 (cluster #1 of 3) | Eukaryotes | 58 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 of 3) | Eukaryotes | 51 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP1A2-1-E | Cytochrome P450 1A2 (cluster #1 of 3) | Eukaryotes | 50 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2CJ-1-E | Cytochrome P450 2C19 (cluster #1 of 3) | Eukaryotes | 37 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2D6-2-E | Cytochrome P450 2D6 (cluster #2 of 3) | Eukaryotes | 32 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP1A1-1-E | Cytochrome P450 1A1 (cluster #1 of 3) | Eukaryotes | 23 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP1B1-1-E | Cytochrome P450 1B1 (cluster #1 of 3) | Eukaryotes | 17 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP3A4-3-E | Cytochrome P450 3A4 (cluster #3 of 4) | Eukaryotes | 16 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2B6-3-E | Cytochrome P450 2B6 (cluster #3 of 4) | Eukaryotes | 12 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2DQ-1-E | Cytochrome P450 2D2 (cluster #1 of 1) | Eukaryotes | 9 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2A6-4-E | Cytochrome P450 2A6 (cluster #4 of 5) | Eukaryotes | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-1-O | HCT-116 (Colon carcinoma cells) (cluster #1 of 2) | Other | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2E1-2-E | Cytochrome P450 2E1 (cluster #2 of 3) | Eukaryotes | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81135-3-O | L6 (Skeletal muscle myoblast cells) (cluster #3 of 6) | Other | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADO-1-E | Aldehyde oxidase (cluster #1 of 3) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADO-2-E | Aldehyde oxidase (cluster #2 of 3) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2B6-2-E | Cytochrome P450 2B6 (cluster #2 of 4) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2C9-3-E | Cytochrome P450 2C9 (cluster #3 of 3) | Eukaryotes | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2A6-1-E | Cytochrome P450 2A6 (cluster #1 of 5) | Eukaryotes | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2D6-3-E | Cytochrome P450 2D6 (cluster #3 of 3) | Eukaryotes | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80418-1-O | RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #1 of 2) | Other | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP1A2-3-E | Cytochrome P450 1A2 (cluster #3 of 3) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50597-1-O | Rattus norvegicus (cluster #1 of 1) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80291-1-O | MRC5 (Embryonic lung fibroblast cells) (cluster #1 of 3) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80583-1-O | Vero (Kidney cells) (cluster #1 of 3) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80897-2-O | H9 (T-lymphoid cells) (cluster #2 of 2) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81247-1-O | HeLa (Cervical adenocarcinoma cells) (cluster #1 of 3) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-3-O | K562 (Erythroleukemia cells) (cluster #3 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80291-2-O | MRC5 (Embryonic lung fibroblast cells) (cluster #2 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80390-1-O | PC-3 (Prostate carcinoma cells) (cluster #1 of 2) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80897-1-O | H9 (T-lymphoid cells) (cluster #1 of 2) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80936-1-O | HEK293 (Embryonic kidney fibroblasts) (cluster #1 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81020-1-O | HepG2 (Hepatoblastoma cells) (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81115-1-O | KB (Squamous cell carcinoma) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81115-2-O | KB (Squamous cell carcinoma) (cluster #2 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ALBU-1-E | Serum albumin (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP1A2-2-E | Cytochrome P450 1A2 (cluster #2 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2A5-1-E | Cytochrome P450 2A5 (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2A6-3-E | Cytochrome P450 2A6 (cluster #3 of 5) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2C8-1-E | Cytochrome P450 2C8 (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2C9-2-E | Cytochrome P450 2C9 (cluster #2 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP3A5-1-E | Cytochrome P450 3A5 (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| S15A2-1-E | Solute carrier family 15 member 2 (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100081-2-O | PBMC (Peripheral blood mononuclear cells) (cluster #2 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103203-1-O | A375 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50418-1-O | Trypanosoma brucei (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50418-2-O | Trypanosoma brucei (cluster #2 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50594-1-O | Mus musculus (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80088-3-O | CHO (Ovarian cells) (cluster #3 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80092-2-O | CHO-K1 (Ovarian cells) (cluster #2 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80156-1-O | HL-60 (Promyeloblast leukemia cells) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80166-1-O | HT-29 (Colon adenocarcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80178-2-O | J774.A1 (Macrophage cells) (cluster #2 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-1-O | K562 (Erythroleukemia cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80224-1-O | MCF7 (Breast carcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80295-1-O | MT4 (Lymphocytes) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80335-1-O | NHDF (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80409-1-O | R2 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80583-3-O | Vero (Kidney cells) (cluster #3 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80608-1-O | ZR-75-1 (Breast carcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80682-2-O | A549 (Lung carcinoma cells) (cluster #2 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80704-1-O | BJ (Foreskin fibroblast cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80874-1-O | CEM (T-cell leukemia) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80936-4-O | HEK293 (Embryonic kidney fibroblasts) (cluster #4 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81057-2-O | HUVEC (Umbilical vein endothelial cells) (cluster #2 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81057-5-O | HUVEC (Umbilical vein endothelial cells) (cluster #5 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81135-2-O | L6 (Skeletal muscle myoblast cells) (cluster #2 of 6) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81135-5-O | L6 (Skeletal muscle myoblast cells) (cluster #5 of 6) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81331-2-O | SW-620 (Colon adenocarcinoma cells) (cluster #2 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2B6-1-E | Cytochrome P450 2B6 (cluster #1 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2C8-2-E | Cytochrome P450 2C8 (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP2DI-1-E | Cytochrome P450 2D18 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CP3A4-1-E | Cytochrome P450 3A4 (cluster #1 of 4) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100081-1-O | PBMC (Peripheral blood mononuclear cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100091-1-O | HS27 (Fibroblast cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100495-1-O | BMEC (Brain microvessel endothelial cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102164-1-O | Liver microsomes (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102352-1-O | Plasma (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50459-1-O | Leishmania donovani (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50587-1-O | Homo sapiens (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80002-1-O | 1A9 (Ovarian adenocarcinoma cells) (cluster #1 of 2) | 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 |
| Z80013-2-O | A10 (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80035-1-O | B16 (Melanoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80052-1-O | C8166 (Leukemic T-cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80054-1-O | Caco-2 (Colon adenocarcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80064-1-O | CCRF-CEM (T-cell leukemia) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80088-2-O | CHO (Ovarian cells) (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80092-1-O | CHO-K1 (Ovarian cells) (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80156-2-O | HL-60 (Promyeloblast leukemia cells) (cluster #2 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80156-3-O | HL-60 (Promyeloblast leukemia cells) (cluster #3 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80164-1-O | HT-1080 (Fibrosarcoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80178-1-O | J774.A1 (Macrophage cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80192-2-O | KM12 (Colon adenocarcinoma cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-1-O | L1210 (Lymphocytic leukemia cells) (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-2-O | L1210 (Lymphocytic leukemia cells) (cluster #2 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-3-O | L1210 (Lymphocytic leukemia cells) (cluster #3 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-4-O | L1210 (Lymphocytic leukemia cells) (cluster #4 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80211-1-O | LoVo (Colon adenocarcinoma cells) (cluster #1 of 1) | 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 |
| Z80253-1-O | MEF (Embryonic fibroblast cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80253-2-O | MEF (Embryonic fibroblast cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80285-1-O | MOLT-4 (Acute T-lymphoblastic leukemia cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80332-1-O | NFF (Fibroblast cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80548-2-O | THP-1 (Acute monocytic leukemia cells) (cluster #2 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80548-3-O | THP-1 (Acute monocytic leukemia cells) (cluster #3 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80583-2-O | Vero (Kidney cells) (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80682-1-O | A549 (Lung carcinoma cells) (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80784-1-O | Col2 (Colon carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80874-3-O | CEM (T-cell leukemia) (cluster #3 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80901-2-O | HaCaT (Keratinocytes) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-2-O | HCT-116 (Colon carcinoma cells) (cluster #2 of 2) | 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 |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80954-1-O | HFF (Foreskin fibroblasts) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80957-2-O | HMEC (Microvascular endothelial cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81024-1-O | NCI-H460 (Non-small cell lung carcinoma) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81034-2-O | A2780 (Ovarian carcinoma cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81057-4-O | HUVEC (Umbilical vein endothelial cells) (cluster #4 of 5) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81072-1-O | Jurkat (Acute leukemic T-cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81170-1-O | LNCaP (Prostate carcinoma) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81244-1-O | J774 (Macrophage cells) (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81244-2-O | J774 (Macrophage cells) (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81247-2-O | HeLa (Cervical adenocarcinoma cells) (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81247-3-O | HeLa (Cervical adenocarcinoma cells) (cluster #3 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81335-2-O | HCT-15 (Colon adenocarcinoma cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |