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Target
Cytochrome P450 2D6
Ligand
BDBM50371332
Substrate
n/a
Meas. Tech.
ChEMBL_463232 (CHEMBL930621)
IC50
>10000±n/a nM
Citation
 Wood, MR; Schirripa, KM; Kim, JJ; Kuduk, SD; Chang, RK; Di Marco, CN; DiPardo, RM; Wan, BL; Murphy, KL; Ransom, RW; Chang, RS; Holahan, MA; Cook, JJ; Lemaire, W; Mosser, SD; Bednar, RA; Tang, C; Prueksaritanont, T; Wallace, AA; Mei, Q; Yu, J; Bohn, DL; Clayton, FC; Adarayn, ED; Sitko, GR; Leonard, YM; Freidinger, RM; Pettibone, DJ; Bock, MG Alpha-hydroxy amides as a novel class of bradykinin B1 selective antagonists. Bioorg Med Chem Lett 18:716-20 (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:
BDBM50371332
Synonyms:
CHEMBL258324
Type:
Small organic molecule
Emp. Form.:
C19H16ClF5N6O2
Mol. Mass.:
490.814
SMILES:
C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Structure:
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