Target
Cytochrome P450 2D6
Ligand
BDBM50022673
Substrate
n/a
Meas. Tech.
ChEMBL_304713 (CHEMBL827154)
IC50
11000±n/a nM
Citation
 Kemp, CAFlanagan, JUvan Eldik, AJMaréchal, JDWolf, CRRoberts, GCPaine, MJSutcliffe, MJ Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition. J Med Chem 47:5340-6 (2004) [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:
BDBM50022673
Synonyms:
(5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) bis(isopropylcarbamate) | CHEMBL284134 | Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-2,5,6,7-tetrahydro-pyrrolizin-1-ylmethyl ester | Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-6,7-dihydro-5H-pyrrolizin-1-ylmethyl ester | NSC-278214
Type:
Small organic molecule
Emp. Form.:
C23H29Cl2N3O4
Mol. Mass.:
482.4
SMILES:
CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2CCCc12
Structure:
Search PDB for entries with ligand similarity: