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Ligand

Namethromboxane B2
Molecular formulaC20H34O6
IUPAC name(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
Molecular weight370.486
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.4
Synonyms(5Z,13E,15S)-9alpha,11,15-trihydroxythromboxa-5,13-dien-1-oic acid
8-(1-Hydroxy-3-oxopropyl)-9,12-dihydroxy-5,10-heptadecadienoic Acid Hemiacetal
CHEMBL1552426
SMP1_000294
(5Z,9|A,13E,15S)9,11,15-Trihydroxythromboxa-5,13-dien-1-oic Acid
[ Show all ]
Inchi KeyXNRNNGPBEPRNAR-JQBLCGNGSA-N
Inchi IDInChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
PubChem CID5283137
ChEMBLN/A
IUPHARN/A
BindingDB82210
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
396591Prostaglandin D2 receptorQ9R261PtgdrRattus norvegicus (Rat)357

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