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Name | CHEMBL2036324 |
---|---|
Molecular formula | C27H25N3O4S3 |
IUPAC name | 2-[2-[(2R)-2-[(E,3S)-4-[3-(1,3-benzothiazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid |
Molecular weight | 551.694 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | BDBM50385133 SCHEMBL10210684 |
Inchi Key | LHSFFQORRGHKSR-BJIJGURPSA-N |
Inchi ID | InChI=1S/C27H25N3O4S3/c31-20(15-17-4-3-5-18(14-17)25-28-21-6-1-2-7-23(21)37-25)10-8-19-9-11-24(32)30(19)12-13-35-27-29-22(16-36-27)26(33)34/h1-8,10,14,16,19-20,31H,9,11-13,15H2,(H,33,34)/b10-8+/t19-,20+/m0/s1 |
PubChem CID | 57894053 |
ChEMBL | CHEMBL2036324 |
IUPHAR | N/A |
BindingDB | 50385133 |
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 |
---|---|---|---|---|---|
187796 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
187793 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
187794 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
187791 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
187792 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
187795 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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