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Target
Cytochrome P450 2D6
Ligand
BDBM50171277
Substrate
n/a
Meas. Tech.
ChEMBL_321536 (CHEMBL880596)
IC50
23000±n/a nM
Citation
 Vrudhula, VM; Dasgupta, B; Boissard, CG; Gribkoff, VK; Santone, KS; Dalterio, RA; Lodge, NJ; Starrett, JE Analogs of a potent maxi-K potassium channel opener with an improved inhibitory profile toward cytochrome P450 isozymes. Bioorg Med Chem Lett 15:4286-90 (2005) [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:
BDBM50171277
Synonyms:
CHEMBL195561 | [4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-2-oxo-6-trifluoromethyl-2H-quinolin-1-yl]-acetonitrile
Type:
Small organic molecule
Emp. Form.:
C20H14ClF3N2O3
Mol. Mass.:
422.785
SMILES:
OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)|
Structure:
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