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Target
Cytochrome P450 3A4
Ligand
BDBM50382412
Substrate
n/a
Meas. Tech.
ChEMBL_815426 (CHEMBL2027078)
IC50
>10000±n/a nM
Citation
 Barawkar, DA; Meru, A; Bandyopadhyay, A; Banerjee, A; Deshpande, AM; Athare, C; Koduru, C; Khose, G; Gundu, J; Mahajan, K; Patil, P; Kandalkar, SR; Niranjan, S; Bhosale, S; De, S; Mukhopadhyay, S; Chaudhary, S; Koul, S; Singh, U; Chugh, A; Palle, VP; Mookhtiar, KA; Vacca, J; Chakravarty, PK; Nargund, RP; Wright, SD; Roy, S; Graziano, MP; Singh, SB; Cully, D; Cai, TQ Potent and Selective Inhibitors of Long Chain l-2-Hydroxy Acid Oxidase Reduced Blood Pressure in DOCA Salt-Treated Rats. ACS Med Chem Lett 2:919-923 (2011) [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:
BDBM50382412
Synonyms:
CHEMBL2022570
Type:
Small organic molecule
Emp. Form.:
C18H15FN2O2
Mol. Mass.:
310.3223
SMILES:
Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Structure:
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