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Target
Cytochrome P450 2D6
Ligand
BDBM50379157
Substrate
n/a
Meas. Tech.
ChEMBL_809876 (CHEMBL2014813)
IC50
100±n/a nM
Citation
 Skerlj, RT; Bastos, CM; Booker, ML; Kramer, ML; Barker, RH; Celatka, CA; Munoz, B; Sidhu, AB; Cortese, JF; Wittlin, S; Papastogiannidis, P; Angulo-Barturen, I; Jimenez-Diaz, MB; Sybertz, E Optimization of Potent Inhibitors of P. falciparum Dihydroorotate Dehydrogenase for the Treatment of Malaria. ACS Med Chem Lett 2:708-713 (2011) [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:
BDBM50379157
Synonyms:
CHEMBL1234899 | US8703811, 57
Type:
Small organic molecule
Emp. Form.:
C17H14F3N3O2S
Mol. Mass.:
381.372
SMILES:
Cc1nc2cc(OC(F)(F)F)ccc2n1-c1ccc(s1)C(=O)NC1CC1
Structure:
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