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Ligand

NameCHEMBL2325976
Molecular formulaC32H55N3O9S3
IUPAC name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4,4a,7a-tetrahydrothieno[3,2-e]thiazin-4-yl]hept-5-enamide
Molecular weight721.984
Hydrogen bond acceptor12
Hydrogen bond donor4
XlogP2.2
SynonymsN/A
Inchi KeyPSMYZBYTIIQVMC-LNEVYKPISA-N
Inchi IDInChI=1S/C32H55N3O9S3/c1-4-6-9-13-23(36)16-17-25-24(28(37)21-29(25)38)14-10-7-8-11-15-30(39)35(5-2)27-22-34(18-12-19-44-3)47(42,43)32-26(27)20-31(45-32)46(33,40)41/h7,10,16-17,20,23-29,32,36-38H,4-6,8-9,11-15,18-19,21-22H2,1-3H3,(H2,33,40,41)/b10-7-,17-16+/t23-,24+,25+,26?,27-,28-,29+,32?/m0/s1
PubChem CID71552410
ChEMBLCHEMBL2325976
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
267745Prostaglandin F2-alpha receptorP43117PtgfrMus musculus (Mouse)366

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