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Ligand

NameCHEMBL2326217
Molecular formulaC25H38N2O9S3
IUPAC name(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-4,5,6,7a-tetrahydro-3aH-thieno[2,3-b]thiopyran-4-yl]amino]-3-oxoprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Molecular weight606.764
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP0.7
SynonymsN/A
Inchi KeySXINIBSRVLYPQQ-WGCIGRGNSA-N
Inchi IDInChI=1S/C25H38N2O9S3/c1-3-27(19-12-15(2)38(33,34)25-18(19)13-24(37-25)39(26,35)36)22(30)11-10-17-16(20(28)14-21(17)29)8-6-4-5-7-9-23(31)32/h4,6,10-11,13,15-21,25,28-29H,3,5,7-9,12,14H2,1-2H3,(H,31,32)(H2,26,35,36)/b6-4-,11-10+/t15-,16+,17+,18?,19-,20-,21+,25?/m0/s1
PubChem CID71552595
ChEMBLCHEMBL2326217
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
325573Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366

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