Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM213823
Substrate
BDBM213826
Meas. Tech.
CYP Activity Assay
Temperature
310.15±n/a K
IC50
4e+3±n/a nM
Comments
extracted
Citation
 Hargrove, TY; Wawrzak, Z; Alexander, PW; Chaplin, JH; Keenan, M; Charman, SA; Perez, CJ; Waterman, MR; Chatelain, E; Lepesheva, GI Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity. J Biol Chem 288:31602-15 (2013) [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:
BDBM213823
Synonyms:
EPL-BS1246 (UDO)
Type:
Small organic molecule
Emp. Form.:
C24H21ClF3N3O
Mol. Mass.:
459.891
SMILES:
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H](c1ccc(Cl)cc1)c1cccnc1 |r|
Structure:
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Substrate
Name:
BDBM213826
Synonyms:
Dextromethorphan | US11535596, Compound Dextromethorphan (DM)
Type:
Small organic molecule
Emp. Form.:
C18H25NO
Mol. Mass.:
271.3972
SMILES:
COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1 |THB:17:16:8:18.6.5|
Structure:
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