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Target
Cytochrome P450 3A4
Ligand
BDBM50008751
Substrate
n/a
Meas. Tech.
ChEMBL_1336778 (CHEMBL3241317)
IC50
>27000±n/a nM
Citation
 Gonzalez, AZ; Li, Z; Beck, HP; Canon, J; Chen, A; Chow, D; Duquette, J; Eksterowicz, J; Fox, BM; Fu, J; Huang, X; Houze, J; Jin, L; Li, Y; Ling, Y; Lo, MC; Long, AM; McGee, LR; McIntosh, J; Oliner, JD; Osgood, T; Rew, Y; Saiki, AY; Shaffer, P; Wortman, S; Yakowec, P; Yan, X; Ye, Q; Yu, D; Zhao, X; Zhou, J; Olson, SH; Sun, D; Medina, JC Novel inhibitors of the MDM2-p53 interaction featuring hydrogen bond acceptors as carboxylic acid isosteres. J Med Chem 57:2963-88 (2014) [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:
BDBM50008751
Synonyms:
CHEMBL3236640
Type:
Small organic molecule
Emp. Form.:
C33H38Cl2N2O5S2
Mol. Mass.:
677.701
SMILES:
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(CC(O)=O)cs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Structure:
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