Target
Cytochrome P450 2D6
Ligand
BDBM50355990
Substrate
n/a
Meas. Tech.
ChEMBL_774985 (CHEMBL1912140)
IC50
>25000±n/a nM
Citation
 Eastwood, PGonzález, JGómez, ECaturla, FAguilar, NMir, MAiguadé, JMatassa, VBalagué, COrellana, ADomínguez, M Indolin-2-one p38a inhibitors III: bioisosteric amide replacement. Bioorg Med Chem Lett 21:6253-7 (2011) [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:
BDBM50355990
Synonyms:
CHEMBL1911194 | US8772288, 59
Type:
Small organic molecule
Emp. Form.:
C22H22N4O2
Mol. Mass.:
374.4357
SMILES:
Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Structure:
Search PDB for entries with ligand similarity: