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Ligand

NameMLS000724783
Molecular formulaC18H18ClF2N3O2S2
IUPAC name4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
Molecular weight445.928
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
Synonyms690249-48-0
HMS2592G04
ZINC2709006
4-(3-chlorophenyl)-N-(3-((difluoromethyl)sulfonyl)phenyl)piperazine-1-carbothioamide
BDBM61810
[ Show all ]
Inchi KeyAFYSBOFSBZXDRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)
PubChem CID2147112
ChEMBLCHEMBL1388940
IUPHARN/A
BindingDB61810
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4627Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4628Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
4629Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
4630Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
463446Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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