UCSF

HMDB Drug Metabolites

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

ADME/T 10μM Targets with Highest Number of Available Compounds (20 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6-1-E Cytochrome P450 2A6 (cluster #1 of 5) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO-2-E Aldehyde oxidase (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
CP3A5-1-E Cytochrome P450 3A5 (cluster #1 of 1) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6-2-E Cytochrome P450 2B6 (cluster #2 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-1-E Cytochrome P450 2D6 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-2-E Cytochrome P450 2D6 (cluster #2 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
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
Z80156-3-O HL-60 (Promyeloblast leukemia cells) (cluster #3 of 4) 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
Z80193-4-O L1210 (Lymphocytic leukemia cells) (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-3-O Vero (Kidney cells) (cluster #3 of 3) 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
Z80936-1-O HEK293 (Embryonic kidney fibroblasts) (cluster #1 of 4) 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