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Target
Cytochrome P450 3A4
Ligand
BDBM328171
Substrate
n/a
Meas. Tech.
ChEMBL_2198264 (CHEMBL5110780)
IC50
>10000±n/a nM
Citation
 Shaw, SJ; Goff, DA; Carroll, DC; Singh, R; Sweeny, DJ; Park, G; Jenkins, Y; Markovtsov, V; Sun, TQ; Issakani, SD; Hitoshi, Y; Payan, DG Structure activity relationships leading to the identification of the indirect activator of AMPK, R419. Bioorg Med Chem 71:0 (2022) [PubMed] 
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:
BDBM328171
Synonyms:
N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- methoxybenzoyl) piperidine-1- carbonyl)nicotinamide | US10377742, Compound 309 | US9663496, Compound 309
Type:
Small organic molecule
Emp. Form.:
C33H35N5O4
Mol. Mass.:
565.6621
SMILES:
COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1
Structure:
Search PDB for entries with ligand similarity: