Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50344942
Substrate
n/a
Meas. Tech.
ChEMBL_495540 (CHEMBL1008010)
IC50
190±n/a nM
Citation
 Westaway, SM; Brown, SL; Fell, SC; Johnson, CN; MacPherson, DT; Mitchell, DJ; Myatt, JW; Stanway, SJ; Seal, JT; Stemp, G; Thompson, M; Lawless, K; McKay, F; Muir, AI; Barford, JM; Cluff, C; Mahmood, SR; Matthews, KL; Mohamed, S; Smith, B; Stevens, AJ; Bolton, VJ; Jarvie, EM; Sanger, GJ Discovery of N-(3-fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine (GSK962040), the first small molecule motilin receptor agonist clinical candidate. J Med Chem 52:1180-9 (2009) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50344942
Synonyms:
CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCIN ETHYLSUCCINATE | Erycette | Erymax | Erythromycin A | Erythromycin C | Ilotycin | T-Stat
Type:
Small organic molecule
Emp. Form.:
C37H67NO13
Mol. Mass.:
733.9268
SMILES:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
Structure:
Search PDB for entries with ligand similarity: