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Target
Cytochrome P450 3A4
Ligand
BDBM77092
Substrate
n/a
Meas. Tech.
ChEMBL_2171279 (CHEMBL5056413)
IC50
53300±n/a nM
Citation
 Pribut, N; D'Erasmo, M; Dasari, M; Giesler, KE; Iskandar, S; Sharma, SK; Bartsch, PW; Raghuram, A; Bushnev, A; Hwang, SS; Burton, SL; Derdeyn, CA; Basson, AE; Liotta, DC; Miller, EJ ?-Functionalized Lipid Prodrugs of HIV NtRTI Tenofovir with Enhanced Pharmacokinetic Properties. J Med Chem 64:12917-12937 (2021) [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:
BDBM77092
Synonyms:
CMX-157 | CMX157 | HDP-tenofovir | Tenofovir Exalidex | hexadecyloxypropyl 9-(2-(phosphonomethoxy)propyl)adenine
Type:
Small organic molecule
Emp. Form.:
C28H52N5O5P
Mol. Mass.:
569.7167
SMILES:
CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: