UCSF

MedChem Express

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

ADME/T 10μM Targets with Highest Number of Available Compounds (37 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 19 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 of 3) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-1-E Cytochrome P450 2D6 (cluster #1 of 3) Eukaryotes 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 of 3) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ-1-E Cytochrome P450 2D2 (cluster #1 of 1) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6-2-E Cytochrome P450 2D6 (cluster #2 of 3) Eukaryotes 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO-2-E Aldehyde oxidase (cluster #2 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80897-2-O H9 (T-lymphoid cells) (cluster #2 of 2) Other 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO-1-E Aldehyde oxidase (cluster #1 of 3) Eukaryotes 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2-1-E Cytochrome P450 1A2 (cluster #1 of 3) 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
Z50597-1-O Rattus norvegicus (cluster #1 of 1) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU-1-E Serum albumin (cluster #1 of 1) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A1-1-E Cytochrome P450 1A1 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1-1-E Cytochrome P450 1B1 (cluster #1 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP24A-1-E Cytochrome P450 24A1 (cluster #1 of 2) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A2-1-E Cytochrome P450 2A2 (cluster #1 of 1) 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
CP2B6-3-E Cytochrome P450 2B6 (cluster #3 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
CP2C8-2-E Cytochrome P450 2C8 (cluster #2 of 2) 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
CP2D6-3-E Cytochrome P450 2D6 (cluster #3 of 3) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
S15A2-1-E Solute carrier family 15 member 2 (cluster #1 of 1) Eukaryotes 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
Z103203-1-O A375 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594-1-O Mus musculus (cluster #1 of 1) 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
Z80193-1-O L1210 (Lymphocytic leukemia cells) (cluster #1 of 4) 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
Z80335-1-O NHDF (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
Z80704-1-O BJ (Foreskin fibroblast cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874-1-O CEM (T-cell leukemia) (cluster #1 of 4) 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