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Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM50022321
Substrate
n/a
Meas. Tech.
ChEMBL_1367709 (CHEMBL3299553)
IC50
94±n/a nM
Citation
 Rooney, L; Vidal, A; D'Souza, AM; Devereux, N; Masick, B; Boissel, V; West, R; Head, V; Stringer, R; Lao, J; Petrus, MJ; Patapoutian, A; Nash, M; Stoakley, N; Panesar, M; Verkuyl, JM; Schumacher, AM; Petrassi, HM; Tully, DC Discovery, optimization, and biological evaluation of 5-(2-(trifluoromethyl)phenyl)indazoles as a novel class of transient receptor potential A1 (TRPA1) antagonists. J Med Chem 57:5129-40 (2014) [PubMed]  Article 
Target
Name:
Transient receptor potential cation channel subfamily A member 1
Synonyms:
Anktm1 | TRPA1_MOUSE | Trpa1
Type:
PROTEIN
Mol. Mass.:
128485.09
Organism:
Mus musculus
Description:
ChEMBL_1367709
Residue:
1125
Sequence:
MKRGLRRILLPEERKEVQGVVYRGVGEDMDCSKESFKVDIEGDMCRLEDFIKNRRKLSKYEDENLCPLHHAAAEGQVELMELIINGSSCEVLNIMDGYGNTPLHCAAEKNQVESVKFLLSQGANPNLRNRNMMSPLHIAVHGMYNEVIKVLTEHKATNINLEGENGNTALMSTCAKDNSEALQILLEKGAKLCKSNKWGDYPVHQAAFSGAKKCMELILAYGEKNGYSRETHINFVNHKKASPLHLAVQSGDLDMIKMCLDNGAHIDMMENAKCMALHFAATQGATDIVKLMISSYTGSSDIVNAVDGNQETLLHRASLFDHHDLAEYLISVGADINSTDSEGRSPLILATASASWNIVNLLLCKGAKVDIKDHLGRNFLHLTVQQPYGLRNLRPEFMQMQHIKELVMDEDNDGCTPLHYACRQGVPVSVNNLLGFNVSIHSKSKDKKSPLHFAASYGRINTCQRLLQDISDTRLLNEGDLHGMTPLHLAAKNGHDKVVQLLLKKGALFLSDHNGWTALHHASMGGYTQTMKVILDTNLKCTDRLDEEGNTALHFAAREGHAKAVAMLLSYNADILLNKKQASFLHIALHNKRKEVVLTTIRNKRWDECLQVFTHNSPSNRCPIMEMVEYLPECMKVLLDFCMIPSTEDKSCQDYHIEYNFKYLQCPLSMTKKVAPTQDVVYEPLTILNVMVQHNRIELLNHPVCREYLLMKWCAYGFRAHMMNLGSYCLGLIPMTLLVVKIQPGMAFNSTGIINGTSSTHEERIDTLNSFPIKICMILVFLSSIFGYCKEVIQIFQQKRNYFLDYNNALEWVIYTTSIIFVLPLFLNIPAYMQWQCGAIAIFFYWMNFLLYLQRFENCGIFIVMLEVIFKTLLRSTGVFIFLLLAFGLSFYVLLNFQDAFSTPLLSLIQTFSMMLGDINYRDAFLEPLFRNELAYPVLTFGQLIAFTMFVPIVLMNLLIGLAVGDIAEVQKHASLKRIAMQVELHTNLEKKLPLWYLRKVDQRSTIVYPNRPRHGRMLRFFHYFLNMQETRQEVPNIDTCLEMEILKQKYRLKDLTSLLEKQHELIKLIIQKMEIISETEDEDNHCSFQDRFKKERLEQMHSKWNFVLNAVKTKTHCSISHPDF
  
Inhibitor
Name:
BDBM50022321
Synonyms:
CHEMBL3298922
Type:
Small organic molecule
Emp. Form.:
C14H8ClF3N2
Mol. Mass.:
296.675
SMILES:
FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
Structure:
Search PDB for entries with ligand similarity: