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Target
Cytochrome P450 3A4
Ligand
BDBM50344511
Substrate
n/a
Meas. Tech.
ChEMBL_747855 (CHEMBL1781110)
IC50
>20000±n/a nM
Citation
 Xia, Y; Chackalamannil, S; Greenlee, WJ; Jayne, C; Neustadt, B; Stamford, A; Vaccaro, H; Xu, XL; Baker, H; O'Neill, K; Woods, M; Hawes, B; Kowalski, T Discovery of a nortropanol derivative as a potent and orally active GPR119 agonist for type 2 diabetes. Bioorg Med Chem Lett 21:3290-6 (2011) [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:
BDBM50344511
Synonyms:
3-chloro-4-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-methylpyrimidin-4-ylamino)benzonitrile | CHEMBL1778248
Type:
Small organic molecule
Emp. Form.:
C22H24ClN5O3S
Mol. Mass.:
473.976
SMILES:
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:17:18:25:21.22|
Structure:
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