UCSF

FDA-approved drugs (via DSSTOX)

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

ADME/T 10μM Targets with Highest Number of Available Compounds (34 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 of 3) Eukaryotes 14 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-1-E Cytochrome P450 2D6 (cluster #1 of 3) Eukaryotes 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ-1-E Cytochrome P450 2D2 (cluster #1 of 1) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO-2-E Aldehyde oxidase (cluster #2 of 3) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO-1-E Aldehyde oxidase (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
CP2B6-2-E Cytochrome P450 2B6 (cluster #2 of 4) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-2-E Cytochrome P450 2D6 (cluster #2 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU-1-E Serum albumin (cluster #1 of 1) 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
CP2A6-1-E Cytochrome P450 2A6 (cluster #1 of 5) 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
Z80409-1-O R2 (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6-3-E Cytochrome P450 2A6 (cluster #3 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6-4-E Cytochrome P450 2B6 (cluster #4 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C8-1-E Cytochrome P450 2C8 (cluster #1 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
Z50418-2-O Trypanosoma brucei (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80092-2-O CHO-K1 (Ovarian cells) (cluster #2 of 3) 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
Z80186-3-O K562 (Erythroleukemia cells) (cluster #3 of 3) 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
Z80362-2-O P388 (Lymphoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-2-O CEM (T-cell leukemia) (cluster #2 of 4) 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
Z80897-1-O H9 (T-lymphoid cells) (cluster #1 of 2) 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
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
Z81135-4-O L6 (Skeletal muscle myoblast cells) (cluster #4 of 6) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81325-1-O SR (Leukemia cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase