Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02562 | Target Info | |||
| Target Name | Prostaglandin E synthase (PTGES) | ||||
| Synonyms | p53-induced gene 12 protein; PIG12; PGES; PGE synthase; P53-induced apoptosis protein 12; Microsomal prostaglandin E synthase 1; Microsomal glutathione S-transferase 1-like 1; MPGES1; MPGES-1; MGST1L1; MGST1-L1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PTGES | ||||
| Biochemical Class | Intramolecular oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(2-Hydroxyethoxy)acetaldehyde | Ligand Info | |||
| Canonical SMILES | C(COCC=O)O | ||||
| InChI | 1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2 | ||||
| InChIKey | DSGGHBUAHUMMHN-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 176960 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5BQH Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
SLVMSSPALP
14 AFLLCSTLLV24 IKMYVVAIIT34 GQVRLRKKAF44 ANPEDALRHG54 GPQYCRSDPD 64 VERCLRAHRN74 DMETIYPFLF84 LGFVYSFLGP94 NPFVAWMHFL104 VFLVGRVAHT 114 VAYLGKLRAP124 IRSVTYTLAQ134 LPCASMALQI144 LWEAARHL
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| PDB ID: 5BQI Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [1] |
| PDB Sequence |
SLVMSSPALP
14 AFLLCSTLLV24 IKMYVVAIIT34 GQVRLRKKAF44 ANPEDALRHG54 GPQYCRSDPD 64 VERCLRAHRN74 DMETIYPFLF84 LGFVYSFLGP94 NPFVAWMHFL104 VFLVGRVAHT 114 VAYLGKLRAP124 IRSVTYTLAQ134 LPCASMALQI144 LWEAARHL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J Med Chem. 2016 Jan 14;59(1):194-205. | ||||
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