Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM481861
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
29.9±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:
BDBM481861
Synonyms:
3-[3-(4-chloro-3-fluoro- phenyl)cyclobutyl]-5-[(7- methyl-6-oxo-purin-1- yl)methyl]-1,3,4-oxadiazol- 2-one | US10913742, Example 106
Type:
Small organic molecule
Emp. Form.:
C19H16ClFN6O3
Mol. Mass.:
430.82
SMILES:
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)c(F)c4)c(=O)o3)c(=O)c12 |r,wU:12.11,wD:14.16,(-9.54,-2.41,;-9.06,-.95,;-9.97,.3,;-9.06,1.54,;-7.6,1.07,;-6.26,1.84,;-4.93,1.07,;-4.93,-.47,;-3.59,-1.24,;-2.26,-.47,;-.85,-1.1,;.18,.04,;1.71,-.12,;2.94,.81,;3.86,-.42,;2.64,-1.35,;5.39,-.63,;5.97,-2.06,;7.49,-2.27,;8.44,-1.06,;9.97,-1.27,;7.86,.37,;8.81,1.58,;6.34,.58,;-.59,1.38,;.03,2.78,;-2.1,1.06,;-6.26,-1.24,;-6.26,-2.78,;-7.6,-.47,)|
Structure:
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