Target
Cytochrome P450 2D6
Ligand
BDBM50297331
Substrate
n/a
Meas. Tech.
ChEMBL_583050 (CHEMBL1056549)
IC50
2100±n/a nM
Citation
 Le Bourdonnec, BWindh, RTLeister, LKZhou, QJAjello, CWGu, MChu, GHTuthill, PABarker, WMKoblish, MWiant, DDGraczyk, TMBelanger, SCassel, JAFeschenko, MSBrogdon, BLSmith, SADerelanko, MJKutz, SLittle, PJDeHaven, RNDeHaven-Hudkins, DLDolle, RE Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747). J Med Chem 52:5685-702 (2009) [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:
BDBM50297331
Synonyms:
CHEMBL550472 | N,N-Diethyl-5-(spiro[chromene-2,4'-piperidine]-4-yl)thiophene-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C22H26N2O2S
Mol. Mass.:
382.519
SMILES:
CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13|
Structure:
Search PDB for entries with ligand similarity: