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Ligand

Name868968-75-6
Molecular formulaC20H18N6O3S
IUPAC nameN-(3,4-dimethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Molecular weight422.463
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.0
SynonymsMLS001232862
CHEMBL1326698
MolPort-003-077-566
HMS2976F22
ZINC9599820
[ Show all ]
Inchi KeyABSPPERXNFIADP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N6O3S/c1-28-15-6-5-14(10-16(15)29-2)22-18(27)12-30-19-8-7-17-23-24-20(26(17)25-19)13-4-3-9-21-11-13/h3-11H,12H2,1-2H3,(H,22,27)
PubChem CID16825458
ChEMBLCHEMBL1326698
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1147Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
1146Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
1148Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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