Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM481812
Substrate
n/a
Meas. Tech.
FLIPR Assay
IC50
105±n/a nM
Citation
 Chen, HShore, DVillemure, EVolgraf, MHu, BLu, ACridland, AWard, SBeaumier, FDery, MLarouche-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:
BDBM481812
Synonyms:
3-(3-(4- methoxyphenyl)cyclobutyl)-5- ((7-methyl-6-oxo-6,7-dihydro- 1H-purin-1-yl)methyl)-1,3,4- oxadiazol-2(3H)-one | US10913742, Example 54
Type:
Small organic molecule
Emp. Form.:
C20H20N6O4
Mol. Mass.:
408.4106
SMILES:
COc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O |r,wU:10.13,wD:8.8,(10.26,-2.67,;9.68,-1.25,;8.15,-1.04,;7.21,-2.25,;5.68,-2.05,;5.1,-.62,;6.04,.6,;7.57,.39,;3.57,-.41,;2.64,.81,;1.41,-.12,;2.35,-1.34,;-.12,.04,;-1.15,-1.1,;-2.55,-.47,;-3.89,-1.24,;-5.22,-.47,;-5.22,1.07,;-6.55,1.84,;-7.89,1.07,;-9.35,1.54,;-10.26,.3,;-9.35,-.95,;-9.83,-2.41,;-7.89,-.47,;-6.55,-1.24,;-6.55,-2.78,;-2.39,1.06,;-.89,1.38,;-.26,2.78,)|
Structure:
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