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Target
Cytochrome P450 2D6
Ligand
BDBM50257137
Substrate
n/a
Meas. Tech.
ChEBML_1689464
IC50
>20000±n/a nM
Citation
 Ho, SY; Alam, J; Jeyaraj, DA; Wang, W; Lin, GR; Ang, SH; Tan, ESW; Lee, MA; Ke, Z; Madan, B; Virshup, DM; Ding, LJ; Manoharan, V; Chew, YS; Low, CB; Pendharkar, V; Sangthongpitag, K; Hill, J; Keller, TH; Poulsen, A Scaffold Hopping and Optimization of Maleimide Based Porcupine Inhibitors. J Med Chem 60:6678-6692 (2017) [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:
Human
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50257137
Synonyms:
CHEMBL4094309
Type:
Small organic molecule
Emp. Form.:
C19H18N4O3S
Mol. Mass.:
382.45
SMILES:
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3nccs3)CCC2)C1=O |t:4|
Structure:
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