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Target
Cytochrome P450 3A4
Ligand
BDBM50578643
Substrate
n/a
Meas. Tech.
ChEMBL_2133633 (CHEMBL4843243)
IC50
>50000±n/a nM
Citation
 Hamilton, MM; Mseeh, F; McAfoos, TJ; Leonard, PG; Reyna, NJ; Harris, AL; Xu, A; Han, M; Soth, MJ; Czako, B; Theroff, JP; Mandal, PK; Burke, JP; Virgin-Downey, B; Petrocchi, A; Pfaffinger, D; Rogers, NE; Parker, CA; Yu, SS; Jiang, Y; Krapp, S; Lammens, A; Trevitt, G; Tremblay, MR; Mikule, K; Wilcoxen, K; Cross, JB; Jones, P; Marszalek, JR; Lewis, RT Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J Med Chem 64:11302-11329 (2021) [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:
BDBM50578643
Synonyms:
CHEMBL4854742
Type:
Small organic molecule
Emp. Form.:
C22H23ClFN3O2
Mol. Mass.:
415.888
SMILES:
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)NC(=O)c1cncc(F)c1 |r|
Structure:
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