Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50240908
Substrate
n/a
Meas. Tech.
ChEMBL_51716 (CHEMBL663531)
IC50
27000±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 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:
BDBM50240908
Synonyms:
CHEMBL170988 | N''-[(E)-amino(imino)methyl]-N-(2-phenylethyl)guanidine | N''-{amino[(2-phenylethyl)imino]methyl}guanidine | N-(2-phenylethyl)imidodicarbonimidic diamide | N-(2-phenylethyl)imidodicarbonimidic diamide(Phenformin) | N-amino(imino)methyl-N-phenethyliminomethanediamine(Phenformin) | PHENFORMIN
Type:
Small organic molecule
Emp. Form.:
C10H15N5
Mol. Mass.:
205.2596
SMILES:
NC(=N)N=C(N)NCCc1ccccc1 |w:3.2|
Structure:
Search PDB for entries with ligand similarity: