Reaction Details  Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50549046
Substrate
n/a
Meas. Tech.
ChEMBL_2023734 (CHEMBL4677547)
IC50
>10000±n/a nM
Citation
 Martínez-Viturro, CM; Trabanco, AA; Royes, J; Fernández, E; Tresadern, G; Vega, JA; Del Cerro, A; Delgado, F; García Molina, A; Tovar, F; Shaffer, P; Ebneth, A; Bretteville, A; Mertens, L; Somers, M; Alonso, JM; Bartolomé-Nebreda, JM Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders. J Med Chem 63:14017-14044 (2020) [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:
BDBM50549046
Synonyms:
CHEMBL4741417
Type:
Small organic molecule
Emp. Form.:
C23H27N5OS
Mol. Mass.:
421.558
SMILES:
CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
Structure:
Search PDB for entries with ligand similarity: