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Target
Cytochrome P450 2D6
Ligand
BDBM50047018
Substrate
n/a
Meas. Tech.
ChEMBL_123021 (CHEMBL729206)
Ki
2900±n/a nM
Citation
 Strobl, GR; von Kruedener, S; Stöckigt, J; Guengerich, FP; Wolff, T Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. J Med Chem 36:1136-45 (1993) [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:
BDBM50047018
Synonyms:
8-Methyl-5,6,7,7a,8,9,11a,12,12a,13-decahydro-6a,9,13-triaza-indeno[2,1-a]anthracene-11-carboxylic acid methyl ester | CHEMBL278038
Type:
Small organic molecule
Emp. Form.:
C21H25N3O2
Mol. Mass.:
351.4421
SMILES:
COC(=O)C1C=NC(C)C2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |c:5|
Structure:
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