Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84040 | Target Info | |||
| Target Name | Transformation-sensitive protein p120 (TRPA1) | ||||
| Synonyms | TRPA1; Ankyrin-like with transmembrane domains protein 1; ANKTM1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | TRPA1 | ||||
| Biochemical Class | Transient receptor potential catioin channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [4-[2-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-1,3-thiazol-4-yl]phenyl]imino-iminoazanium | Ligand Info | |||
| Canonical SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)N=[N+]=N | ||||
| InChI | 1S/C18H15N9O3S/c1-25-15-14(16(29)26(2)18(25)30)27(9-20-15)7-13(28)22-17-21-12(8-31-17)10-3-5-11(6-4-10)23-24-19/h3-6,8-9,19H,7H2,1-2H3/p+1 | ||||
| InChIKey | BCMLFCZGHWVERY-UHFFFAOYSA-O | ||||
| PubChem Compound ID | 163410045 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7OR0 Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 2 | ||||||
| Method | Electron microscopy | Resolution | 2.64 Å | Mutation | Yes | [1] |
| PDB Sequence |
KSPLHFAASY
456 GRINTCQRLL466 QDISDTRLLN476 EGDLHGMTPL486 HLAAKNGHDK496 VVQLLLKKGA 506 LFLSDHNGWT516 ALHHASMGGY526 TQTMKVILDT536 NLKCTDRLDE546 DGNTALHFAA 556 REGHAKAVAL566 LLSHNADIVL576 NKQQASFLHL586 ALHNKRKEVV596 LTIIRSKRWD 606 ECLKIFSHNS616 PGNKCPITEM626 IEYLPECMKV636 LLDFCMLHST646 EDKSCRDYYI 656 EYNFKYLQCP666 LEFTKKTPTQ676 DVIYEPLTAL686 NAMVQNNRIE696 LLNHPVCKEY 706 LLMKWLAYGF716 RAHMMNLGSY726 CLGLIPMTIL736 VVNIKPGMAF746 NSTGIINEEI 761 LDTTNSYLIK771 TCMILVFLSS781 IFGYCKEAGQ791 INYFMDISNV806 LEWIIYTTGI 816 IFVLPLFVEI826 PAHLQWQCGA836 IAVYFYWMNF846 LLYLQRFENC856 GIFIVMLEVI 866 LKTLLRSTVV876 FIFLLLAFGL886 SFYILLNLQD896 PFSSPLLSII906 QTFSMMLGDI 916 NYRESFLEPY926 LRNELAHPVL936 SFAQLVSFTI946 FVPIVLMNLL956 IGLAVGDIAE 966 VQKHASLKRI976 AMQVELHTSL986 EKKLPLWFLR996 KVDQKSTIVY1006 PNKPKSLEME 1043 ILKQKYRLKD1053 LTFLLEKQHE1063 LIKLIIQKME1073 IISETE
|
|||||
|
|
||||||
| PDB ID: 7OR1 Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 1 | ||||||
| Method | Electron microscopy | Resolution | 2.64 Å | Mutation | Yes | [2] |
| PDB Sequence |
KSPLHFAASY
456 GRINTCQRLL466 QDISDTRLLN476 EGDLHGMTPL486 HLAAKNGHDK496 VVQLLLKKGA 506 LFLSDHNGWT516 ALHHASMGGY526 TQTMKVILDT536 NLKCTDRLDE546 DGNTALHFAA 556 REGHAKAVAL566 LLSHNADIVL576 NKQQASFLHL586 ALHNKRKEVV596 LTIIRSKRWD 606 ECLKIFSHNS616 PGNKCPITEM626 IEYLPECMKV636 LLDFCMLHST646 EDKSCRDYYI 656 EYNFKYLQCP666 LEFTKKTPTQ676 DVIYEPLTAL686 NAMVQNNRIE696 LLNHPVCKEY 706 LLMKWLAYGF716 RAHMMNLGSY726 CLGLIPMTIL736 VVNIKPGMAF746 NSTGIINEEI 761 LDTTNSYLIK771 TCMILVFLSS781 IFGYCKEAGQ791 INYFMDISNV806 LEWIIYTTGI 816 IFVLPLFVEI826 PAHLQWQCGA836 IAVYFYWMNF846 LLYLQRFENC856 GIFIVMLEVI 866 LKTLLRSTVV876 FIFLLLAFGL886 SFYILLNLQD896 PFSSPLLSII906 QTFSMMLGDI 916 NYRESFLEPY926 LRNELAHPVL936 SFAQLVSFTI946 FVPIVLMNLL956 IGLAVGDIAE 966 VQKHASLKRI976 AMQVELHTSL986 EKKLPLWFLR996 KVDQKSTIVY1006 PNKPKSLEME 1043 ILKQKYRLKD1053 LTFLLEKQHE1063 LIKLIIQKME1073 IISETE
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60 | ||||
| REF 2 | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60 | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.