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Name | CHEMBL2036326 |
---|---|
Molecular formula | C28H27N3O5S2 |
IUPAC name | 2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid |
Molecular weight | 549.66 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 4.7 |
Synonyms | BDBM50385135 SCHEMBL14270358 |
Inchi Key | JCIWYGNAXZWKCG-KSFASEQNSA-N |
Inchi ID | InChI=1S/C28H27N3O5S2/c1-17-5-9-24-22(13-17)29-26(36-24)19-4-2-3-18(14-19)15-21(32)8-6-20-7-10-25(33)31(20)11-12-37-28-30-23(16-38-28)27(34)35/h2-6,8-9,13-14,16,20-21,32H,7,10-12,15H2,1H3,(H,34,35)/b8-6+/t20-,21+/m0/s1 |
PubChem CID | 58932681 |
ChEMBL | CHEMBL2036326 |
IUPHAR | N/A |
BindingDB | 50385135 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
147472 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
147469 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
147471 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
147467 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
147468 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
147470 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
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