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Target
Cytochrome P450 2D6
Ligand
BDBM50233628
Substrate
n/a
Meas. Tech.
ChEMBL_1651047 (CHEMBL4000302)
IC50
8000±n/a nM
Citation
 Duraiswamy, AJ; Lee, MA; Madan, B; Ang, SH; Tan, ES; Cheong, WW; Ke, Z; Pendharkar, V; Ding, LJ; Chew, YS; Manoharan, V; Sangthongpitag, K; Alam, J; Poulsen, A; Ho, SY; Virshup, DM; Keller, TH Discovery and Optimization of a Porcupine Inhibitor. J Med Chem 58:5889-99 (2015) [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:
BDBM50233628
Synonyms:
CHEMBL4088716
Type:
Small organic molecule
Emp. Form.:
C22H21N7O
Mol. Mass.:
399.4484
SMILES:
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r|
Structure:
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