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Name | CHEMBL2037290 |
---|---|
Molecular formula | C28H27N3O5S2 |
IUPAC name | 2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(4-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 | BDBM50385137 SCHEMBL14270365 |
Inchi Key | LBKVVYLADFVUQO-BPFVEMAFSA-N |
Inchi ID | InChI=1S/C28H27N3O5S2/c1-17-4-2-7-23-25(17)30-26(36-23)19-6-3-5-18(14-19)15-21(32)10-8-20-9-11-24(33)31(20)12-13-37-28-29-22(16-38-28)27(34)35/h2-8,10,14,16,20-21,32H,9,11-13,15H2,1H3,(H,34,35)/b10-8+/t20-,21+/m0/s1 |
PubChem CID | 58932678 |
ChEMBL | CHEMBL2037290 |
IUPHAR | N/A |
BindingDB | 50385137 |
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 |
---|---|---|---|---|---|
183324 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
183323 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
183326 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
183321 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
183322 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
183325 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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