Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM481815
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
40.3±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:
BDBM481815
Synonyms:
2-[[4-[3-(4- chlorophenyl)cyclobutyl]-5- oxo-1,3,4-oxadiazol-2- yl]methyl]-9-methyl- pyrido[1,2-a]pyrazine-1,6- dione | US10913742, Example 58
Type:
Small organic molecule
Emp. Form.:
C22H19ClN4O4
Mol. Mass.:
438.864
SMILES:
Cc1ccc(=O)n2ccn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:14.13,wD:16.18,(-8.78,-3.08,;-8.78,-1.54,;-10.11,-.77,;-10.11,.77,;-8.78,1.54,;-8.78,3.08,;-7.45,.77,;-6.11,1.54,;-4.78,.77,;-4.78,-.77,;-3.45,-1.54,;-2.11,-.77,;-.71,-1.4,;.33,-.25,;1.86,-.41,;3.09,.51,;4.01,-.71,;2.78,-1.64,;5.54,-.93,;6.12,-2.36,;7.64,-2.57,;8.59,-1.36,;10.11,-1.57,;8.01,.07,;6.49,.29,;-.44,1.08,;.18,2.49,;-1.95,.76,;-6.11,-1.54,;-6.11,-3.08,;-7.45,-.77,)|
Structure:
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