Target
Cytochrome P450 2D6
Ligand
BDBM50377956
Substrate
n/a
Meas. Tech.
ChEMBL_535290 (CHEMBL982615)
IC50
2900±n/a nM
Citation
 Sato, IMorihira, KInami, HKubota, HMorokata, TSuzuki, KIura, YNitta, AImaoka, TTakahashi, TTakeuchi, MOhta, MTsukamoto, S Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition. Bioorg Med Chem 16:8607-18 (2008) [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:
BDBM50377956
Synonyms:
CHEMBL1744356
Type:
Small organic molecule
Emp. Form.:
C29H27FN4O
Mol. Mass.:
466.5493
SMILES:
Fc1ccc2cc(CN3[C@@H]4CC[C@@H]3CC(C4)NC(=O)c3ccccc3-c3cncnc3)ccc2c1 |r,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Structure:
Search PDB for entries with ligand similarity: