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Target
Cytochrome P450 2D6
Ligand
BDBM50336980
Substrate
n/a
Meas. Tech.
ChEMBL_719027 (CHEMBL1679089)
IC50
>25000±n/a nM
Citation
 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist ACS Med Chem Lett 2:213-218 (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:
BDBM50336980
Synonyms:
CHEMBL1672633 | N-[5-(3-Fluoropyridin-4-yl)-6-(1,3-oxazol-5-yl)pyrazin-2-yl]cyclopropane-carboxamide
Type:
Small organic molecule
Emp. Form.:
C16H12FN5O2
Mol. Mass.:
325.2972
SMILES:
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cnco1
Structure:
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