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Ligand

NameBAS 00662566
Molecular formulaC8H12N4O3S
IUPAC namepropan-2-yl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
Molecular weight244.269
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.2
SynonymsAC1LE8SB
ISOPROPYL ((5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)AMINO)ACETATE
propan-2-yl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]acetate
MLS000714713
SR-01000405510
[ Show all ]
Inchi KeyAALJFFRFEBGHPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H12N4O3S/c1-4(2)15-5(13)3-9-6-7(14)10-8(16)12-11-6/h4H,3H2,1-2H3,(H,9,11)(H2,10,12,14,16)
PubChem CID682221
ChEMBLCHEMBL1349621
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
299Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
300Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
298Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
297Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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