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Ligand

NameMLS001002995
Molecular formulaC21H21N3O4S2
IUPAC nameN-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
Molecular weight443.536
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.4
SynonymsN-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanyl-ethanamide
Oprea1_082159
503036-56-4
HMS2758G18
N-[4-(4-morpholinylsulfonyl)phenyl]-2-(8-quinolinylthio)acetamide
[ Show all ]
Inchi KeyQPVPCRMOVBLWQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25)
PubChem CID4261263
ChEMBLCHEMBL1382320
IUPHARN/A
BindingDB80031
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
284060Apelin receptorP35414APLNRHomo sapiens (Human)380
284061C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
284059C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
284063Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
284062Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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