Target
Cytochrome P450 2D6
Ligand
BDBM50046059
Substrate
n/a
Meas. Tech.
ChEMBL_1458159 (CHEMBL3368205)
IC50
>20000±n/a nM
Citation
 Clemens, JJCoon, TBusch, BBAsgian, JLHudson, STermin, AFlores, TBTran, DChiang, PSperry, SGross, RAbt, JHeim, RLechner, STwin, HStudley, JBrenchley, GCollier, PNPierard, FMiller, AMak, CDvornikovs, VJimenez, JMStamos, D Strategies for the modulation of phase II metabolism in a series of PKCe inhibitors. Bioorg Med Chem Lett 24:3398-402 (2014) [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:
BDBM50046059
Synonyms:
CHEMBL3310295
Type:
Small organic molecule
Emp. Form.:
C20H17F3N4O2
Mol. Mass.:
402.3698
SMILES:
OC[C@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: