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Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM50022349
Substrate
n/a
Meas. Tech.
ChEMBL_1367708 (CHEMBL3299552)
IC50
627±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_RAT | Trpa1
Type:
PROTEIN
Mol. Mass.:
128622.74
Organism:
Rattus norvegicus
Description:
ChEMBL_1450487
Residue:
1125
Sequence:
MKRSLRRVLRPEERKEVQGVVYRGVGKDMDCSKESFKVDIEGDMCRLEAFIKNRRKLSKYEDENLCLLHHAAAEGQVELMQLIINGSSCEALNVMDDYGNTPLHWAAEKNQVESVKFLLSQGANPNLRNRNMMAPLHIAVQGMYNEVIKVLTEHKATNINLEGENGNTALMSTCAKDNSEALQILLEKGAKLCKSNKWGDYPVHQAAFSGAKRCMELILAYGEKTGYSREAHINFVNHKKASPLHLAVQSGDLDMIKMCLDSGAHIDMMENAKCMALHFAATQGATDIVKLMISSYTGSSDIVNAVDGNQETLLHRASLFDHHDLADYLISVGADINSTDSEGRSPLILATASASWNIVNLLLSKGAKVDIKDHLGRNFLHLTVQQPYGLRNLRPEFLQMQHIKELVMDEDNDGCTPLHYACRQGAPVSVNNLLRFNVSVHSKSKDKKSPLHFAASYGRINTCQRLLQDISDTRLLNEGDLHGMTPLHLAAKNGHDKVVQLLLKKGALFLSDHNGWTALHHASMGGYTQTMKVILDTNLKCTDRLDEEGNTALHFAAREGHAKAVAMLLSYNADILLNKKQASFLHIALHNKRKEVVLTTIRSKRWDECLQVFTHDSPSNRCPIMEMVEYLPECMKVLLDFCMIPSTEDKSCQDYHIEYNFKYLQCPLSMTKKVTPTQDVIYEPLTILNVMVQHNRIELLNHPVCREYLLMKWCAYGFRAHMMNLGSYCLGLIPMTLLVVKIQPGMAFNSTGIINETISTHEERINTLNSFPLKICMILVFLSSIFGYCKEVVQIFQQKRNYFLDYNNALEWVIYTTSMIFVLPLFLDIPAYMQWQCGAIAIFFYWMNFLLYLQRFENCGIFIVMLEVIFKTLLRSTGVFIFLLLAFGLSFYVLLNFQDAFSTPLLSLIQTFSMMLGDINYRDAFLEPLFRNELAYPVLTFGQLIAFTMFVPIVLMNLLIGLAVGDIAEVQKHASLKRIAMQVELHTNLEKKLPFWYLRKVDQRSTIVYPNRPRHGRMLRFFHYFLSMQETRQEAPNIDTCLEMEILKQKYRLKDLTSLLEKQHELIKLIIQKMEIISETEDEDNHCSFQDRFKKERLEQMHSKWNFVLNAVKTKTHCSISHPDI
  
Inhibitor
Name:
BDBM50022349
Synonyms:
CHEMBL3299024
Type:
Small organic molecule
Emp. Form.:
C15H8F6N2O
Mol. Mass.:
346.2272
SMILES:
FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Structure:
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