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Name | CHEMBL173811 |
---|---|
Molecular formula | C19H31NO5S2 |
IUPAC name | 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[3-hydroxy-4-(1,3-thiazol-2-ylsulfanyl)butyl]cyclopentyl]heptanoic acid |
Molecular weight | 417.579 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 3.1 |
Synonyms | 9alpha,11alpha,15-Trihydroxy-17-(thiazole-2-yl)-18,19,20-trinor-17-thiaprostane-1-oic acid BDBM50085915 7-{3,5-Dihydroxy-2-[3-hydroxy-4-(thiazol-2-ylsulfanyl)-butyl]-cyclopentyl}-heptanoic acid |
Inchi Key | FNZKSJLLEXLFRT-MUOSFQKXSA-N |
Inchi ID | InChI=1S/C19H31NO5S2/c21-13(12-27-19-20-9-10-26-19)7-8-15-14(16(22)11-17(15)23)5-3-1-2-4-6-18(24)25/h9-10,13-17,21-23H,1-8,11-12H2,(H,24,25)/t13?,14-,15-,16+,17-/m1/s1 |
PubChem CID | 10740699 |
ChEMBL | CHEMBL173811 |
IUPHAR | N/A |
BindingDB | 50085915 |
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 |
---|---|---|---|---|---|
83062 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
83057 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
83063 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
83059 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
83058 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
83060 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
83061 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
83056 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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