Reaction Details Report a problem with these data
Target
Cytochrome P450 2D26
Ligand
BDBM50367247
Substrate
n/a
Meas. Tech.
ChEMBL_51710 (CHEMBL665725)
IC50
94±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 2D26
Synonyms:
CP2DQ_RAT | CYPIID26 | Cyp2d-26 | Cyp2d2 | Cyp2d26 | Cytochrome P450 2D2 | Cytochrome P450 2D26 | Debrisoquine 4-hydroxylase | P450-CMF2 | P450-DB2
Type:
PROTEIN
Mol. Mass.:
56689.75
Organism:
Rattus norvegicus
Description:
ChEMBL_51710
Residue:
500
Sequence:
MGLLIGDDLWAVVIFTAIFLLLVDLVHRHKFWTAHYPPGPVPLPGLGNLLQVDFENMPYSLYKLRSRYGDVFSLQIAWKPVVVINGLKAVRELLVTYGEDTADRPLLPIYNHLGYGNKSKGVVLAPYGPEWREQRRFSVSTLRDFGVGKKSLEQWVTEEAGHLCDTFAKEAEHPFNPSILLSKAVSNVIASLVYARRFEYEDPFFNRMLKTLKESFGEDTGFMAEVLNAIPILLQIPGLPGKVFPKLNSFIALVDKMLIEHKKSWDPAQPPRDMTDAFLAEMQKAKGNPESSFNDENLRLVVIDLFMAGMVTTSTTLSWALLLMILHPDVQRRVHEEIDEVIGQVRRPEMADQARMPFTNAVIHEVQRFADIVPTNIPHMTSRDIKFQGFLIPKGTTLIPNLSSVLKDETVWEKPLRFHPEHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVLAGRPRPSTHGVYALPVTPQPYQLCAVAR
  
Inhibitor
Name:
BDBM50367247
Synonyms:
QUININE | Quinamm | Quinsan | cid_3034034
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 |THB:20:19:12.13:16.15,10:12:19.18:16.15|
Structure:
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