Reaction Details  Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50121975
Substrate
n/a
Meas. Tech.
ChEMBL_1910984 (CHEMBL4413430)
IC50
10.0±n/a nM
Citation
 Saccoliti, F; Madia, VN; Tudino, V; De Leo, A; Pescatori, L; Messore, A; De Vita, D; Scipione, L; Brun, R; Kaiser, M; Mäser, P; Calvet, CM; Jennings, GK; Podust, LM; Pepe, G; Cirilli, R; Faggi, C; Di Marco, A; Battista, MR; Summa, V; Costi, R; Di Santo, R Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents. J Med Chem 62:1330-1347 (2019) [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:
BDBM50121975
Synonyms:
(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | CARDIOQUIN | CHEMBL1294 | CIN-QUIN | DURAQUIN | QUINACT | QUINAGLUTE | QUINALAN | QUINATIME | QUINIDEX | QUINIDINE | QUINORA | US9402878, Quinidine
Type:
Small organic molecule
Emp. Form.:
C20H24N2O2
Mol. Mass.:
324.4168
SMILES:
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Structure:
Search PDB for entries with ligand similarity: