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Ligand

NamePinane thromboxane A2
Molecular formulaC24H40O3
IUPAC name(Z)-7-[(1S,2R,3R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight376.581
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.2
Synonyms71111-01-8
SR-01000946269-1
CAS_71111-01-8
PTA2
ZINC13650342
[ Show all ]
Inchi KeyOHJIHGVLRDHSDV-PUYXBYOHSA-N
Inchi IDInChI=1S/C24H40O3/c1-4-5-8-11-20(25)15-14-18-16-19-17-22(24(19,2)3)21(18)12-9-6-7-10-13-23(26)27/h6,9,14-15,18-22,25H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6-,15-14+/t18-,19-,20+,21+,22-/m0/s1
PubChem CID25834471
ChEMBLN/A
IUPHARN/A
BindingDB82223
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
241392Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341

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