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Ligand

NameSQ-29548
Molecular formulaC21H29N3O4
IUPAC name(Z)-7-[(1R,2R,3R,4S)-3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular weight387.48
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP0.3
Synonyms98299-61-7
D05RAV
[3H]SQ-29548
5-Heptenoic acid, 7-(3-((2-((phenylamino)carbonyl)hydrazino)methyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1alpha,2beta(Z),3beta,4alpha)-(+-)-
SQ 28053
[ Show all ]
Inchi KeyRJNDVCNWVBWHLY-OQMICVBCSA-N
Inchi IDInChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1
PubChem CID6437074
ChEMBLN/A
IUPHAR1980, 1985
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554740Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
554741Thromboxane A2 receptorP30987Tbxa2rMus musculus (Mouse)341
554742Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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