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Target
Cytochrome P450 3A4
Ligand
BDBM50506244
Substrate
n/a
Meas. Tech.
ChEMBL_1825299 (CHEMBL4325063)
IC50
>50000±n/a nM
Citation
 Panchaud, P; Surivet, JP; Diethelm, S; Blumstein, AC; Gauvin, JC; Jacob, L; Masse, F; Mathieu, G; Mirre, A; Schmitt, C; Enderlin-Paput, M; Lange, R; Gnerre, C; Seeland, S; Herrmann, C; Locher, HH; Seiler, P; Ritz, D; Rueedi, G Optimization of LpxC Inhibitor Lead Compounds Focusing on Efficacy and Formulation for High Dose Intravenous Administration. J Med Chem 63:88-102 (2020) [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:
BDBM50506244
Synonyms:
CHEMBL4438243
Type:
Small organic molecule
Emp. Form.:
C20H23N3O6S
Mol. Mass.:
433.478
SMILES:
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1CO)(C(=O)NO)S(C)(=O)=O |r|
Structure:
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