Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM481823
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
12.5±n/a nM
Citation
 Chen, H; Shore, D; Villemure, E; Volgraf, M; Hu, B; Lu, A; Cridland, A; Ward, S; Beaumier, F; Dery, M; Larouche-Gauthier, R Oxadiazolones as transient receptor potential channel inhibitors US Patent  US10913742 Publication Date 2/9/2021 
Target
Name:
Transient receptor potential cation channel subfamily A member 1
Synonyms:
ANKTM1 | Ankyrin-like with transmembrane domains protein 1 | TRPA1 | TRPA1_HUMAN | Transformation-sensitive protein p120 | Transient receptor potential cation channel subfamily A member 1 (TRPA1)
Type:
Protein
Mol. Mass.:
127514.20
Organism:
Homo sapiens (Human)
Description:
O75762
Residue:
1119
Sequence:
MKRSLRKMWRPGEKKEPQGVVYEDVPDDTEDFKESLKVVFEGSAYGLQNFNKQKKLKRCDDMDTFFLHYAAAEGQIELMEKITRDSSLEVLHEMDDYGNTPLHCAVEKNQIESVKFLLSRGANPNLRNFNMMAPLHIAVQGMNNEVMKVLLEHRTIDVNLEGENGNTAVIIACTTNNSEALQILLKKGAKPCKSNKWGCFPIHQAAFSGSKECMEIILRFGEEHGYSRQLHINFMNNGKATPLHLAVQNGDLEMIKMCLDNGAQIDPVEKGRCTAIHFAATQGATEIVKLMISSYSGSVDIVNTTDGCHETMLHRASLFDHHELADYLISVGADINKIDSEGRSPLILATASASWNIVNLLLSKGAQVDIKDNFGRNFLHLTVQQPYGLKNLRPEFMQMQQIKELVMDEDNDGCTPLHYACRQGGPGSVNNLLGFNVSIHSKSKDKKSPLHFAASYGRINTCQRLLQDISDTRLLNEGDLHGMTPLHLAAKNGHDKVVQLLLKKGALFLSDHNGWTALHHASMGGYTQTMKVILDTNLKCTDRLDEDGNTALHFAAREGHAKAVALLLSHNADIVLNKQQASFLHLALHNKRKEVVLTIIRSKRWDECLKIFSHNSPGNKCPITEMIEYLPECMKVLLDFCMLHSTEDKSCRDYYIEYNFKYLQCPLEFTKKTPTQDVIYEPLTALNAMVQNNRIELLNHPVCKEYLLMKWLAYGFRAHMMNLGSYCLGLIPMTILVVNIKPGMAFNSTGIINETSDHSEILDTTNSYLIKTCMILVFLSSIFGYCKEAGQIFQQKRNYFMDISNVLEWIIYTTGIIFVLPLFVEIPAHLQWQCGAIAVYFYWMNFLLYLQRFENCGIFIVMLEVILKTLLRSTVVFIFLLLAFGLSFYILLNLQDPFSSPLLSIIQTFSMMLGDINYRESFLEPYLRNELAHPVLSFAQLVSFTIFVPIVLMNLLIGLAVGDIAEVQKHASLKRIAMQVELHTSLEKKLPLWFLRKVDQKSTIVYPNKPRSGGMLFHIFCFLFCTGEIRQEIPNADKSLEMEILKQKYRLKDLTFLLEKQHELIKLIIQKMEIISETEDDDSHCSFQDRFKKEQMEQRNSRWNTVLRAVKAKTHHLEP
  
Inhibitor
Name:
BDBM481823
Synonyms:
5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)methyl]-3-[3- (6-quinolyl)cyclobutyl]-1,3,4- oxadiazol-2-one | US10913742, Example 66
Type:
Small organic molecule
Emp. Form.:
C24H20N6O3
Mol. Mass.:
440.454
SMILES:
Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc5ncccc5c4)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-9.25,-2.78,;-9.25,-1.24,;-10.59,-.47,;-10.59,1.07,;-9.25,1.84,;-7.92,1.07,;-6.59,1.84,;-5.25,1.07,;-5.25,-.47,;-3.92,-1.24,;-2.59,-.47,;-1.18,-1.1,;-.15,.04,;1.38,-.12,;2.31,-1.35,;3.54,-.42,;2.61,.81,;5.07,-.63,;5.64,-2.06,;7.17,-2.27,;8.12,-1.06,;9.64,-1.27,;10.59,-.06,;10.01,1.37,;8.49,1.58,;7.54,.37,;6.01,.58,;-.92,1.38,;-.29,2.78,;-2.42,1.06,;-6.59,-1.24,;-6.59,-2.78,;-7.92,-.47,)|
Structure:
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