Reaction Details 
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Cytochrome P450 2D6
Ligand
BDBM50536191
Substrate
n/a
Meas. Tech.
ChEMBL_1933088 (CHEMBL4478740)
IC50
700±n/a nM
Citation
Norcross, NR; Baragaña, B; Wilson, C; Hallyburton, I; Osuna-Cabello, M; Norval, S; Riley, J; Stojanovski, L; Simeons, FR; Porzelle, A; Grimaldi, R; Wittlin, S; Duffy, S; Avery, VM; Meister, S; Sanz, L; Jiménez-Díaz, B; Angulo-Barturen, I; Ferrer, S; Martínez, MS; Gamo, FJ; Frearson, JA; Gray, DW; Fairlamb, AH; Winzeler, EA; Waterson, D; Campbell, SF; Willis, P; Read, KD; Gilbert, IH Trisubstituted Pyrimidines as Efficacious and Fast-Acting Antimalarials. J Med Chem 59:6101-20 (2016) [PubMed] ArticleMore Info.:
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:
BDBM50536191
Synonyms:
CHEMBL4584780
Type:
Small organic molecule
Emp. Form.:
C23H26N6O
Mol. Mass.:
402.4921
SMILES:
C1CN(CCO1)C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1
Structure:
