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Target
Cytochrome P450 3A4
Ligand
BDBM50274156
Substrate
n/a
Meas. Tech.
ChEMBL_1713962 (CHEMBL4124011)
IC50
9360±n/a nM
Citation
 Blass, BE; Iyer, P; Abou-Gharbia, M; Childers, WE; Gordon, JC; Ramanjulu, M; Morton, G; Arumugam, P; Boruwa, J; Ellingboe, J; Mitra, S; Reddy Nimmareddy, R; Paliwal, S; Rajasekhar, J; Shivakumar, S; Srivastava, P; Tangirala, RS; Venkataramanaiah, K; Bobbala, R; Yanamandra, M; Krishnakanth Reddy, L Design and synthesis of functionalized piperazin-1yl-(E)-stilbenes as inhibitors of 17?-hydroxylase-C17,20-lyase (Cyp17). Bioorg Med Chem Lett 28:2270-2274 (2018) [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:
BDBM50274156
Synonyms:
CHEMBL4128368
Type:
Small organic molecule
Emp. Form.:
C24H21F4N3O2S
Mol. Mass.:
491.501
SMILES:
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1
Structure:
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