UCSF

TimTec

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

ADME/T 10μM Targets with Highest Number of Available Compounds (71 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP2D6-1-E Cytochrome P450 2D6 (cluster #1 of 3) Eukaryotes 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
S15A2-1-E Solute carrier family 15 member 2 (cluster #1 of 1) Eukaryotes 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6-1-E Cytochrome P450 2A6 (cluster #1 of 5) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 of 3) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2-1-E Cytochrome P450 1A2 (cluster #1 of 3) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A5-1-E Cytochrome P450 2A5 (cluster #1 of 2) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ-1-E Cytochrome P450 2D2 (cluster #1 of 1) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A5-2-E Cytochrome P450 2A5 (cluster #2 of 2) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4-3-E Cytochrome P450 3A4 (cluster #3 of 4) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A1-1-E Cytochrome P450 1A1 (cluster #1 of 3) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1-1-E Cytochrome P450 1B1 (cluster #1 of 3) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 of 3) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2-2-E Cytochrome P450 1A2 (cluster #2 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2-3-E Cytochrome P450 1A2 (cluster #3 of 3) Eukaryotes 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
ADO-1-E Aldehyde oxidase (cluster #1 of 3) Eukaryotes 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
Z81135-5-O L6 (Skeletal muscle myoblast cells) (cluster #5 of 6) 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
CP2A6-5-E Cytochrome P450 2A6 (cluster #5 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-2-E Cytochrome P450 2D6 (cluster #2 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-3-E Cytochrome P450 2D6 (cluster #3 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081-1-O PBMC (Peripheral blood mononuclear cells) (cluster #1 of 2) Other 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
Z80186-3-O K562 (Erythroleukemia cells) (cluster #3 of 3) 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
Z80583-3-O Vero (Kidney cells) (cluster #3 of 3) 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
Z80897-1-O H9 (T-lymphoid cells) (cluster #1 of 2) 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
Z81020-1-O HepG2 (Hepatoblastoma cells) (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A1-2-E Cytochrome P450 1A1 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1-2-E Cytochrome P450 1B1 (cluster #2 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6-4-E Cytochrome P450 2A6 (cluster #4 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6-2-E Cytochrome P450 2B6 (cluster #2 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6-3-E Cytochrome P450 2B6 (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9-2-E Cytochrome P450 2C9 (cluster #2 of 3) 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
CP2E1-1-E Cytochrome P450 2E1 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2E1-2-E Cytochrome P450 2E1 (cluster #2 of 3) 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
Z50418-1-O Trypanosoma brucei (cluster #1 of 3) 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
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
Z80156-4-O HL-60 (Promyeloblast leukemia cells) (cluster #4 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
Z80178-2-O J774.A1 (Macrophage cells) (cluster #2 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
Z80193-2-O L1210 (Lymphocytic leukemia cells) (cluster #2 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
Z80253-1-O MEF (Embryonic fibroblast cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414-1-O Raji (B-lymphoblastic cells) (cluster #1 of 2) 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
Z80897-2-O H9 (T-lymphoid cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80901-1-O HaCaT (Keratinocytes) (cluster #1 of 2) 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
Z81057-4-O HUVEC (Umbilical vein endothelial cells) (cluster #4 of 5) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115-2-O KB (Squamous cell carcinoma) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135-2-O L6 (Skeletal muscle myoblast cells) (cluster #2 of 6) 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
Z81335-2-O HCT-15 (Colon adenocarcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase