| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin E synthase |
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| Ligand | BDBM50056919 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1736785 (CHEMBL4152535) |
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| IC50 | 1150±n/a nM |
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| Citation |  Khan, H; Rengasamy, KRR; Pervaiz, A; Nabavi, SM; Atanasov, AG; Kamal, MA Plant-derived mPGES-1 inhibitors or suppressors: A new emerging trend in the search for small molecules to combat inflammation. Eur J Med Chem153:2-28 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Prostaglandin E synthase |
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| Name: | Prostaglandin E synthase |
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| Synonyms: | MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1) |
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| Type: | Protein |
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| Mol. Mass.: | 17112.22 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 152 |
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| Sequence: | MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
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| BDBM50056919 |
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| n/a |
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| Name | BDBM50056919 |
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| Synonyms: | 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-formyl-2,4-dihydroxy-6-methylbenzoate | ATRANORIN | CHEMBL173395 | NSC-685591 | methyl 1-(3-formyl-2,4-dihydroxy-6-methylphenylcarbonyloxy)-3-hydroxy-2,5-dimethyl-4-benzenecarboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C19H18O8 |
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| Mol. Mass. | 374.3414 |
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| SMILES | COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O |
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| Structure | 
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