UCSF

DrugBank-experimental

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

ADME/T 10μM Targets with Highest Number of Available Compounds (31 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 of 3) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2-1-E Cytochrome P450 1A2 (cluster #1 of 3) Eukaryotes 6 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
CP2D6-1-E Cytochrome P450 2D6 (cluster #1 of 3) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 of 3) 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
Z80936-1-O HEK293 (Embryonic kidney fibroblasts) (cluster #1 of 4) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6-4-E Cytochrome P450 2A6 (cluster #4 of 5) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6-2-E Cytochrome P450 2B6 (cluster #2 of 4) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2E1-3-E Cytochrome P450 2E1 (cluster #3 of 3) Eukaryotes 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
ADO-1-E Aldehyde oxidase (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU-1-E Serum albumin (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A5-1-E Cytochrome P450 2A5 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6-1-E Cytochrome P450 2A6 (cluster #1 of 5) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9-3-E Cytochrome P450 2C9 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ-1-E Cytochrome P450 2D2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A1-1-E Cytochrome P450 3A1 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A2-1-E Cytochrome P450 3A2 (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (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
Z80335-1-O NHDF (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418-1-O RAW264.7 (Monocytic-macrophage leukemia cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80704-1-O BJ (Foreskin fibroblast cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936-2-O HEK293 (Embryonic kidney fibroblasts) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057-5-O HUVEC (Umbilical vein endothelial cells) (cluster #5 of 5) 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
Z81247-1-O HeLa (Cervical adenocarcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331-2-O SW-620 (Colon adenocarcinoma cells) (cluster #2 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase