Reaction Details Report a problem with these data
Target
Transient receptor potential cation channel subfamily A member 1
Ligand
BDBM50336640
Substrate
n/a
Meas. Tech.
ChEMBL_633024 (CHEMBL1118249)
EC50
400±n/a nM
Citation
 Baraldi, PG; Preti, D; Materazzi, S; Geppetti, P Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. J Med Chem 53:5085-107 (2010) [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:
BDBM50336640
Synonyms:
(nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester | 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester | Adalat | Adalat CC | Afeditab cr | BAY-A-1040 | NIFEDIPINE | Nefidipine | Procardia | Procardia XL | dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Type:
Small organic molecule
Emp. Form.:
C17H18N2O6
Mol. Mass.:
346.3346
SMILES:
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Structure:
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