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Target
Cytochrome P450 2D6
Ligand
BDBM601033
Substrate
n/a
Meas. Tech.
ChEMBL_2252752 (CHEMBL5166962)
IC50
>50000±n/a nM
Citation
 Willis, NJ; Mahy, W; Sipthorp, J; Zhao, Y; Woodward, HL; Atkinson, BN; Bayle, ED; Svensson, F; Frew, S; Jeganathan, F; Monaghan, A; Benvegnù, S; Jolly, S; Vecchia, L; Ruza, RR; Kjær, S; Howell, S; Snijders, AP; Bictash, M; Salinas, PC; Vincent, JP; Jones, EY; Whiting, P; Fish, PV Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit. J Med Chem 65:7212-7230 (2022) [PubMed] 
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:
BDBM601033
Synonyms:
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole | US11634391, Compound 295
Type:
Small organic molecule
Emp. Form.:
C9H4Cl2F3N3
Mol. Mass.:
282.049
SMILES:
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
Structure:
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