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Name | STA2 |
---|---|
Molecular formula | C21H34O3S |
IUPAC name | (Z)-7-[(1S,2R,3R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid |
Molecular weight | 366.56 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.9 |
Synonyms | (Z)-7-[(1S,2R,3R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid D00GTU 11alpha-carba-9alpha,11beta-thia-Txa2 GTPL1939 |
Inchi Key | OVGWMUWIRHGGJP-WVDJAODQSA-N |
Inchi ID | InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18-,19+,20-/m0/s1 |
PubChem CID | 5311453 |
ChEMBL | N/A |
IUPHAR | 1939 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
554515 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
554516 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
554517 | Thromboxane A2 receptor | P30987 | Tbxa2r | Mus musculus (Mouse) | 341 |
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