UCSF

Molcan

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

ADME/T 10μM Targets with Highest Number of Available Compounds (18 in total)

Name (Code) Description Organism Class Size Browse Download (Annotations)
CP3A4-2-E Cytochrome P450 3A4 (cluster #2 of 4) Eukaryotes 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 of 3) 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
Z80409-1-O R2 (cluster #1 of 1) Other 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
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
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 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
Z100081-1-O PBMC (Peripheral blood mononuclear 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
Z80291-2-O MRC5 (Embryonic lung fibroblast cells) (cluster #2 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80335-1-O NHDF (cluster #1 of 2) 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
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
Z81247-1-O HeLa (Cervical adenocarcinoma cells) (cluster #1 of 3) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81264-1-O V79 (Lung fibroblasts) (cluster #1 of 2) Other 1 Annotations Catalogs SMILES SDF Mol2 Flexibase