UCSF

SMPDB Small Molecule Pathway Database

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

ADME/T 10μM Targets with Highest Number of Available Compounds (56 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 of 3) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597-1-O Rattus norvegicus (cluster #1 of 1) Other 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO-2-E Aldehyde oxidase (cluster #2 of 3) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ-1-E Cytochrome P450 2D2 (cluster #1 of 1) Eukaryotes 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6-3-E Cytochrome P450 2B6 (cluster #3 of 4) 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
Z80291-1-O MRC5 (Embryonic lung fibroblast cells) (cluster #1 of 3) Other 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80704-1-O BJ (Foreskin fibroblast cells) (cluster #1 of 2) 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
CP2A6-1-E Cytochrome P450 2A6 (cluster #1 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
CP2C9-2-E Cytochrome P450 2C9 (cluster #2 of 3) 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
CP3A4-3-E Cytochrome P450 3A4 (cluster #3 of 4) Eukaryotes 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081-1-O PBMC (Peripheral blood mononuclear cells) (cluster #1 of 2) Other 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
Z50418-1-O Trypanosoma brucei (cluster #1 of 3) 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
Z80002-1-O 1A9 (Ovarian adenocarcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005-1-O 3T3 (Fibroblast cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035-1-O B16 (Melanoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054-1-O Caco-2 (Colon adenocarcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064-1-O CCRF-CEM (T-cell leukemia) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156-1-O HL-60 (Promyeloblast leukemia cells) (cluster #1 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
Z80166-1-O HT-29 (Colon adenocarcinoma 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
Z80186-1-O K562 (Erythroleukemia cells) (cluster #1 of 3) 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
Z80193-3-O L1210 (Lymphocytic leukemia cells) (cluster #3 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
Z80211-1-O LoVo (Colon adenocarcinoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224-1-O MCF7 (Breast carcinoma cells) (cluster #1 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
Z80253-2-O MEF (Embryonic fibroblast 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
Z80390-1-O PC-3 (Prostate carcinoma cells) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80409-1-O R2 (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548-2-O THP-1 (Acute monocytic leukemia cells) (cluster #2 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583-1-O Vero (Kidney cells) (cluster #1 of 3) 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
Z80682-2-O A549 (Lung carcinoma cells) (cluster #2 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
Z80936-4-O HEK293 (Embryonic kidney fibroblasts) (cluster #4 of 4) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020-1-O HepG2 (Hepatoblastoma cells) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024-1-O NCI-H460 (Non-small cell lung carcinoma) (cluster #1 of 1) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034-2-O A2780 (Ovarian carcinoma cells) (cluster #2 of 2) 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
Z81115-2-O KB (Squamous cell carcinoma) (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
Z81331-2-O SW-620 (Colon adenocarcinoma cells) (cluster #2 of 2) 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