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Target
Cytochrome P450 2D6
Ligand
BDBM50575236
Substrate
n/a
Meas. Tech.
ChEMBL_2124739 (CHEMBL4833972)
IC50
>50000±n/a nM
Citation
 Mowbray, CE; Braillard, S; Glossop, PA; Whitlock, GA; Jacobs, RT; Speake, J; Pandi, B; Nare, B; Maes, L; Yardley, V; Freund, Y; Wall, RJ; Carvalho, S; Bello, D; Van den Kerkhof, M; Caljon, G; Gilbert, IH; Corpas-Lopez, V; Lukac, I; Patterson, S; Zuccotto, F; Wyllie, S DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis. J Med Chem 64:16159-16176 (2021) [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:
BDBM50575236
Synonyms:
CHEMBL4874673
Type:
Small organic molecule
Emp. Form.:
C16H14BN5O3
Mol. Mass.:
335.125
SMILES:
Cc1c(nnn1-c1ccccn1)C(=O)Nc1ccc2COB(O)c2c1
Structure:
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