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Ligand

NameMLS000094938
Molecular formulaC20H22N4O4S
IUPAC namemethyl 2-[[2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate
Molecular weight414.48
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.8
SynonymsAC1MMI6Z
HMS2368C16
MolPort-002-797-277
BDBM44648
methyl 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate
[ Show all ]
Inchi KeyAKPKVAZBSUXKSJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O4S/c1-12(2)9-15(19(27)28-3)22-16(25)11-29-20-23-17(13-7-5-4-6-8-13)14(10-21)18(26)24-20/h4-8,12,15H,9,11H2,1-3H3,(H,22,25)(H,23,24,26)
PubChem CID135520065
ChEMBLCHEMBL1457936
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
7773Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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