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Name | CHEMBL2036312 |
---|---|
Molecular formula | C27H30N2O5S |
IUPAC name | 4-[2-[(2R)-2-[(E,3S)-4-[3-(1,3-benzoxazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid |
Molecular weight | 494.606 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | BDBM50385122 SCHEMBL10210677 |
Inchi Key | JZCFDPKIVFTNPA-PNXDNICKSA-N |
Inchi ID | InChI=1S/C27H30N2O5S/c30-22(12-10-21-11-13-25(31)29(21)14-16-35-15-4-9-26(32)33)18-19-5-3-6-20(17-19)27-28-23-7-1-2-8-24(23)34-27/h1-3,5-8,10,12,17,21-22,30H,4,9,11,13-16,18H2,(H,32,33)/b12-10+/t21-,22+/m0/s1 |
PubChem CID | 57894092 |
ChEMBL | CHEMBL2036312 |
IUPHAR | N/A |
BindingDB | 50385122 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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163571 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
163570 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
163569 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
163567 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
163568 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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