Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50323788
Substrate
n/a
Meas. Tech.
ChEMBL_647293 (CHEMBL1217499)
IC50
>10000±n/a nM
Citation
 Ward, SE; Harries, M; Aldegheri, L; Andreotti, D; Ballantine, S; Bax, BD; Harris, AJ; Harker, AJ; Lund, J; Melarange, R; Mingardi, A; Mookherjee, C; Mosley, J; Neve, M; Oliosi, B; Profeta, R; Smith, KJ; Smith, PW; Spada, S; Thewlis, KM; Yusaf, SP Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem 53:5801-12 (2010) [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:
BDBM50323788
Synonyms:
CHEMBL1214451 | N-[5-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C17H19ClN2O2S
Mol. Mass.:
350.863
SMILES:
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(Cl)cn1
Structure:
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