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Ligand

Namethromboxane A2
Molecular formulaC20H32O5
IUPAC name(Z)-7-[(1S,3R,4S,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Molecular weight352.471
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
Synonyms7-[3-(3-hydroxy-1-octenyl)-2,6-dioxabicyclo[3.1.1]hept-4-yl]-[1S-[1alpha,3alpha(1E,3R*),4beta(Z),5alpha]]-5-Heptenoic acid
CAS_57576-52-0
Rabbit aorta contracting substance
ZINC4095825
(5Z)-7-[(1S,3R,4S,5S)-3-[(1E,3S)-3-hydroxy-1-octenyl]-2,6-dioxabicyclo[3.1.1]hept-4-yl]-5-Heptenoate
[ Show all ]
Inchi KeyDSNBHJFQCNUKMA-SCKDECHMSA-N
Inchi IDInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
PubChem CID5280497
ChEMBLN/A
IUPHARN/A
BindingDB82229
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
67785Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

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