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Ligand

NameSMR000285085
Molecular formulaC22H25N7O4S
IUPAC nameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Molecular weight483.547
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.9
SynonymsBAS 04241245
AC1LLSK4
ChemDiv1_005814
Oprea1_158483
MLS000687343
[ Show all ]
Inchi KeyDKEGLNNQRSERFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25N7O4S/c1-6-28-17-18(25(3)22(33)26(4)20(17)32)24-21(28)34-12-15(30)23-16-13(2)27(5)29(19(16)31)14-10-8-7-9-11-14/h7-11H,6,12H2,1-5H3,(H,23,30)
PubChem CID1072636
ChEMBLCHEMBL1572163
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
62130Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
62131Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
62129Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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