Reaction Details Report a problem with these data
Target
Cytochrome P450 2D4
Ligand
BDBM50122613
Substrate
n/a
Meas. Tech.
ChEMBL_51712 (CHEMBL665727)
IC50
747000±n/a nM
Citation
 Venhorst, J; ter Laak, AM; Commandeur, JN; Funae, Y; Hiroi, T; Vermeulen, NP Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities. J Med Chem 46:74-86 (2002) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D4
Synonyms:
CP2D4_RAT | CYPIID4 | Cyp2d-18 | Cyp2d-4 | Cyp2d18 | Cyp2d4 | Cytochrome P450 2D18 | Cytochrome P450 2D4 | Cytochrome P450-CMF3 | Cytochrome P450-DB4 | Debrisoquine 4-hydroxylase
Type:
PROTEIN
Mol. Mass.:
56689.73
Organism:
Rattus norvegicus
Description:
ChEMBL_1280215
Residue:
500
Sequence:
MRMPTGSELWPIAIFTIIFLLLVDLMHRRQRWTSRYPPGPVPWPVLGNLLQIDFQNMPAGFQKLRCRFGDLFSLQLAFESVVVLNGLPALREALVKYSEDTADRPPLHFNDQSGFGPRSQGVVLARYGPAWRQQRRFSVSTFRHFGLGKKSLEQWVTEEARCLCAAFADHSGFPFSPNTLLDKAVCNVIASLLFACRFEYNDPRFIRLLDLLKDTLEEESGFLPMLLNVFPMLLHIPGLLGKVFSGKKAFVAMLDELLTEHKVTWDPAQPPRDLTDAFLAEVEKAKGNPESSFNDENLRVVVADLFMAGMVTTSTTLTWALLFMILRPDVQCRVQQEIDEVIGQVRRPEMADQARMPFTNAVIHEVQRFADILPLGVPHKTSRDIEVQGFLIPKGTTLIINLSSVLKDETVWEKPLRFHPEHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPAGQPRPSNYGVFGALTTPRPYQLCASPR
  
Inhibitor
Name:
BDBM50122613
Synonyms:
3,4-dihydroisoquinoline-2(1H)-carboximidamide | CHEMBL169901 | Debrisochinum | Debrisoquin | Isocaramidine
Type:
Small organic molecule
Emp. Form.:
C10H13N3
Mol. Mass.:
175.2303
SMILES:
NC(=N)N1CCc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: