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Target
Cytochrome P450 3A4
Ligand
BDBM50260763
Substrate
n/a
Meas. Tech.
ChEMBL_552281 (CHEMBL995611)
IC50
20000±n/a nM
Citation
 Chen, C; Chen, Y; Pontillo, J; Guo, Z; Huang, CQ; Wu, D; Madan, A; Chen, T; Wen, J; Xie, Q; Tucci, FC; Rowbottom, M; Zhu, YF; Wade, W; Saunders, J; Bozigian, H; Struthers, RS Potent and orally bioavailable zwitterion GnRH antagonists with low CYP3A4 inhibitory activity. Bioorg Med Chem Lett 18:3301-5 (2008) [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:
BDBM50260763
Synonyms:
(R)-4-(2-(3-(2,6-difluorobenzyl)-5-(2-chlorophenyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethylamino)butanoic acid | CHEMBL526887
Type:
Small organic molecule
Emp. Form.:
C29H26ClF2N3O4
Mol. Mass.:
553.984
SMILES:
OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2F)c1=O)-c1ccccc1Cl)c1ccccc1 |r|
Structure:
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