Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM481826
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
785±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:
BDBM481826
Synonyms:
3-[3-(4- chlorophenoxy)cyclobutyl]-5- [(7-methyl-6-oxo-purin-1- yl)methyl]-1,3,4-oxadiazol- 2-one | US10913742, Example 69
Type:
Small organic molecule
Emp. Form.:
C19H17ClN6O4
Mol. Mass.:
428.829
SMILES:
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r,wU:14.16,wD:12.11,(-9.14,-3.15,;-8.66,-1.68,;-9.57,-.44,;-8.66,.81,;-7.2,.33,;-5.86,1.1,;-4.53,.33,;-4.53,-1.21,;-3.19,-1.98,;-1.86,-1.21,;-.45,-1.83,;.58,-.69,;2.11,-.85,;3.04,-2.08,;4.27,-1.14,;3.33,.08,;5.79,-1.35,;6.74,-.14,;8.26,-.34,;9.2,.87,;8.62,2.3,;9.57,3.52,;7.1,2.51,;6.15,1.29,;-.19,.65,;.43,2.05,;-1.7,.32,;-5.86,-1.98,;-5.86,-3.52,;-7.2,-1.21,)|
Structure:
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