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Ligand

NameAC1LT9RX
Molecular formulaC18H17N3O6S
IUPAC name2-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Molecular weight403.409
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.4
SynonymsMLS000579173
CHEMBL1393166
HMS590F03
MolPort-000-658-702
2-[5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-3-isoxazolyl)acetamide
[ Show all ]
Inchi KeyCWFHKAXLHFBLGL-RIYZIHGNSA-N
Inchi IDInChI=1S/C18H17N3O6S/c1-10-6-15(20-27-10)19-16(22)9-21-17(23)14(28-18(21)24)8-11-4-5-12(25-2)13(7-11)26-3/h4-8H,9H2,1-3H3,(H,19,20,22)/b14-8+
PubChem CID1554642
ChEMBLCHEMBL1393166
IUPHARN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52053Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
52052Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
52055Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
52054Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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