Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM452903
Substrate
n/a
Meas. Tech.
FLIPR Assay (90 minutes)
IC50
1.70±n/a nM
Citation
 Chen, H; Safina, B; Shore, D; Terrett, J; Villemure, E; Volgraf, M; Ward, S; Lu, A; Larouche-Gauthier, R; Beaumier, F; Dery, M; Constantineau-Forget, L; Grand-Maitre, C; Lepissier, L Oxadiazole transient receptor potential channel inhibitors US Patent  US10711004 Publication Date 7/14/2020 
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:
BDBM452903
Synonyms:
7-methyl-1-((3- ((1S,5S,6R)-3- phenylbicyclo[3.1.0] hex-2-en-6-yl)-1,2,4- oxadiazol-5-yl)methyl)- 1,7-dihydro-6H- purin-6-one | US10711004, Example 225
Type:
Small organic molecule
Emp. Form.:
C21H18N6O2
Mol. Mass.:
386.4066
SMILES:
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3[C@H]4CC(=C[C@@H]34)c3ccccc3)c(=O)c12 |r,c:18|
Structure:
Search PDB for entries with ligand similarity: