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Target
Cytochrome P450 2D6
Ligand
BDBM50310000
Substrate
n/a
Meas. Tech.
ChEMBL_1734267 (CHEMBL4149803)
IC50
4210±n/a nM
Citation
 Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Nguyen, HH; Miller, EJ; Kim, MB; Kuo, KM; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Discovery of  ACS Med Chem Lett 9:446-451 (2018) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50310000
Synonyms:
4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide | CHEMBL598769
Type:
Small organic molecule
Emp. Form.:
C27H21Br2ClN6O
Mol. Mass.:
640.756
SMILES:
Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
Structure:
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