Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50509150
Substrate
n/a
Meas. Tech.
ChEMBL_2192373 (CHEMBL5104733)
EC50
5500±n/a nM
Citation
 Hao, J; Beck, J; Zhou, X; Lackner, GL; Johnston, R; Reinhard, M; Goldsmith, P; Hollinshead, S; Dehlinger, V; Filla, SA; Wang, XS; Richardson, J; Posada, M; Mohutsky, M; Schober, D; Katner, JS; Chen, Q; Hu, B; Remick, DM; Coates, DA; Mathes, BM; Hawk, MK; Svensson, KA; Hembre, E Synthesis and Preclinical Characterization of LY3154885, a Human Dopamine D1 Receptor Positive Allosteric Modulator with an Improved Nonclinical Drug-Drug Interaction Risk Profile. J Med Chem 65:3786-3797 (2022) [PubMed] 
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:
BDBM50509150
Synonyms:
LY-3154207 | Ly3154207 | Mevidalen
Type:
Small organic molecule
Emp. Form.:
C24H29Cl2NO3
Mol. Mass.:
450.398
SMILES:
C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc1c(Cl)cccc1Cl |r|
Structure:
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