| Reaction Details |
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 | Report a problem with these data |
| Target | Transient receptor potential cation channel subfamily A member 1 |
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| Ligand | BDBM50573115 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2118954 (CHEMBL4828020) |
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| IC50 | 1.6±n/a nM |
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| Citation |  Villemure, E; Terrett, JA; Larouche-Gauthier, R; Déry, M; Chen, H; Reese, RM; Shields, SD; Chen, J; Magnuson, S; Volgraf, M A Retrospective Look at the Impact of Binding Site Environment on the Optimization of TRPA1 Antagonists. ACS Med Chem Lett12:1230-1237 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Transient receptor potential cation channel subfamily A member 1 |
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| Name: | Transient receptor potential cation channel subfamily A member 1 |
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| 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) |
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| Type: | Protein |
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| Mol. Mass.: | 127514.20 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75762 |
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| Residue: | 1119 |
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| Sequence: | MKRSLRKMWRPGEKKEPQGVVYEDVPDDTEDFKESLKVVFEGSAYGLQNFNKQKKLKRCD
DMDTFFLHYAAAEGQIELMEKITRDSSLEVLHEMDDYGNTPLHCAVEKNQIESVKFLLSR
GANPNLRNFNMMAPLHIAVQGMNNEVMKVLLEHRTIDVNLEGENGNTAVIIACTTNNSEA
LQILLKKGAKPCKSNKWGCFPIHQAAFSGSKECMEIILRFGEEHGYSRQLHINFMNNGKA
TPLHLAVQNGDLEMIKMCLDNGAQIDPVEKGRCTAIHFAATQGATEIVKLMISSYSGSVD
IVNTTDGCHETMLHRASLFDHHELADYLISVGADINKIDSEGRSPLILATASASWNIVNL
LLSKGAQVDIKDNFGRNFLHLTVQQPYGLKNLRPEFMQMQQIKELVMDEDNDGCTPLHYA
CRQGGPGSVNNLLGFNVSIHSKSKDKKSPLHFAASYGRINTCQRLLQDISDTRLLNEGDL
HGMTPLHLAAKNGHDKVVQLLLKKGALFLSDHNGWTALHHASMGGYTQTMKVILDTNLKC
TDRLDEDGNTALHFAAREGHAKAVALLLSHNADIVLNKQQASFLHLALHNKRKEVVLTII
RSKRWDECLKIFSHNSPGNKCPITEMIEYLPECMKVLLDFCMLHSTEDKSCRDYYIEYNF
KYLQCPLEFTKKTPTQDVIYEPLTALNAMVQNNRIELLNHPVCKEYLLMKWLAYGFRAHM
MNLGSYCLGLIPMTILVVNIKPGMAFNSTGIINETSDHSEILDTTNSYLIKTCMILVFLS
SIFGYCKEAGQIFQQKRNYFMDISNVLEWIIYTTGIIFVLPLFVEIPAHLQWQCGAIAVY
FYWMNFLLYLQRFENCGIFIVMLEVILKTLLRSTVVFIFLLLAFGLSFYILLNLQDPFSS
PLLSIIQTFSMMLGDINYRESFLEPYLRNELAHPVLSFAQLVSFTIFVPIVLMNLLIGLA
VGDIAEVQKHASLKRIAMQVELHTSLEKKLPLWFLRKVDQKSTIVYPNKPRSGGMLFHIF
CFLFCTGEIRQEIPNADKSLEMEILKQKYRLKDLTFLLEKQHELIKLIIQKMEIISETED
DDSHCSFQDRFKKEQMEQRNSRWNTVLRAVKAKTHHLEP
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| BDBM50573115 |
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| n/a |
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| Name | BDBM50573115 |
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| Synonyms: | CHEMBL4865238 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H19F8N5O3S |
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| Mol. Mass. | 609.492 |
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| SMILES | C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F |r| |
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| Structure | 
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