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Ligand

NameMLS001110184
Molecular formulaC26H31N5O5S
IUPAC nameN-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
Molecular weight525.624
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.0
SynonymsAKOS001509311
CHEMBL1726252
HMS2933A21
MolPort-001-736-138
N-((Z)-2-{1-[(dimethylamino)sulfonyl]-1H-indol-3-yl}-1-{[(2-morpholin-4-ylethyl)amino]carbonyl}vinyl)benzamide
[ Show all ]
Inchi KeyAAFGQGUAUKKREU-NKFKGCMQSA-N
Inchi IDInChI=1S/C26H31N5O5S/c1-29(2)37(34,35)31-19-21(22-10-6-7-11-24(22)31)18-23(28-25(32)20-8-4-3-5-9-20)26(33)27-12-13-30-14-16-36-17-15-30/h3-11,18-19H,12-17H2,1-2H3,(H,27,33)(H,28,32)/b23-18-
PubChem CID17038160
ChEMBLCHEMBL1726252
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
462986Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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