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Target
Cytochrome P450 3A4
Ligand
BDBM613971
Substrate
n/a
Meas. Tech.
CYP3A4 Inhibitory Activity Assay
IC50
>1000±n/a nM
Citation
 Urgaonkar, S; Said, AM; Nasief Abdel Sayed, NN; Pitzonka, LB; Cutler, MJ; Smolinski, MP; Lau, JY Acetamido-phenyltetrazole derivatives and methods of using the same US Patent  US11739089 Publication Date 8/29/2023
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:
BDBM613971
Synonyms:
US11739089, Compound 5
Type:
Small organic molecule
Emp. Form.:
C47H42N10O5
Mol. Mass.:
826.9004
SMILES:
COc1cc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN(Cc2cccc(c2)-n2ccnc2)Cc2ccc3n(C)ncc3c2)cc1
Structure:
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