Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2D6
LigandBDBM50510665
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2062008 (CHEMBL4717261)
IC50>13000±n/a nM
Citation Ogawa, AKBunte, EVMal, RLan, PSun, ZCrespo, AWiltsie, JClemas, JGibson, JContino, LLisnock, JZhou, GGarcia-Calvo, MJochnowitz, NMa, XPan, YBrown, PZamlynny, BBateman, TLeung, DXu, LTong, XLiu, KCrook, MSinclair, P Discovery of novel non-steroidal reverse indole mineralocorticoid receptor antagonists. Bioorg Med Chem Lett26:2866-2869 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6
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:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50510665
n/a
NameBDBM50510665
Synonyms:CHEMBL4439903
TypeSmall organic molecule
Emp. Form.C19H21ClN2O3S
Mol. Mass.392.9
SMILESCC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: