UCSF

StruChem BB make-on-demand

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

ADME/T 10μM Targets with Highest Number of Available Compounds (30 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
CP2A6_HUMAN P11509 CHEMBL5282 Cytochrome P450 2A6 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A5_MOUSE P20852 CHEMBL4085 Cytochrome P450 2A5 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_HUMAN Q06278 CHEMBL3257 Aldehyde oxidase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_RABIT P80456 CHEMBL1641356 Aldehyde oxidase 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2_HUMAN P05177 CHEMBL3356 Cytochrome P450 1A2 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9_HUMAN P11712 CHEMBL3397 Cytochrome P450 2C9 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4_HUMAN P08684 CHEMBL340 Cytochrome P450 3A4 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal muscle myoblast cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A1_HUMAN P04798 CHEMBL2231 Cytochrome P450 1A1 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6_HUMAN P10635 CHEMBL289 Cytochrome P450 2D6 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral blood mononuclear cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic lung fibroblast cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_MACFA Q5FB27 CHEMBL1641357 Aldehyde oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_MOUSE O54754 CHEMBL1641354 Aldehyde oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_RAT Q9Z0U5 CHEMBL1641355 Aldehyde oxidase 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1_HUMAN Q16678 CHEMBL4878 Cytochrome P450 1B1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN P33261 CHEMBL3622 Cytochrome P450 2C19 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma brucei 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80178 Z80178 CHEMBL614040 J774.A1 (Macrophage cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80253 Z80253 CHEMBL614342 MEF (Embryonic fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80409 Z80409 CHEMBL614385 R2 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage leukemia cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical vein endothelial cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase