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Target
Cytochrome P450 3A4
Ligand
BDBM50499991
Substrate
n/a
Meas. Tech.
ChEMBL_1541293 (CHEMBL3742833)
IC50
3910±n/a nM
Citation
 Landge, S; Mullick, AB; Nagalapur, K; Neres, J; Subbulakshmi, V; Murugan, K; Ghosh, A; Sadler, C; Fellows, MD; Humnabadkar, V; Mahadevaswamy, J; Vachaspati, P; Sharma, S; Kaur, P; Mallya, M; Rudrapatna, S; Awasthy, D; Sambandamurthy, VK; Pojer, F; Cole, ST; Balganesh, TS; Ugarkar, BG; Balasubramanian, V; Bandodkar, BS; Panda, M; Ramachandran, V Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-?-D-ribose 2'-oxidase. Bioorg Med Chem 23:7694-710 (2015) [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:
BDBM50499991
Synonyms:
CHEMBL3742347
Type:
Small organic molecule
Emp. Form.:
C14H12F3N3O4S
Mol. Mass.:
375.323
SMILES:
[O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F
Structure:
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