Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2D6
LigandBDBM50379670
Substrate/Competitorn/a
Meas. Tech.ChEMBL_812034 (CHEMBL2013460)
IC50 6000±n/a nM
Citation Davies, DJCrowe, MLucas, NQuinn, JMiller, DDPritchard, SGrose, DBettini, ECalcinaghi, NVirginio, CAbberley, LGoldsmith, PMichel, ADChessell, IPKew, JNMiller, NDGunthorpe, MJ A novel series of benzimidazole NR2B-selective NMDA receptor antagonists. Bioorg Med Chem Lett22:2620-3 (2012) [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:
BDBM50379670
n/a
NameBDBM50379670
Synonyms:CHEMBL2013195
TypeSmall organic molecule
Emp. Form.C19H21N3O
Mol. Mass.307.3895
SMILESOc1ccc2nc([nH]c2c1CN1CCCCC1)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: