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Ligand

NameMLS003115968
Molecular formulaC21H20N2O3S3
IUPAC namemethyl 5-[[2-[(3-methylsulfanylphenyl)carbamothioylamino]phenyl]sulfanylmethyl]furan-2-carboxylate
Molecular weight444.582
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsNSC319421
AC1MDVH8
Maybridge1_000366
Oprea1_817289
CHEMBL2140171
[ Show all ]
Inchi KeyABIFLJSKXNDKFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N2O3S3/c1-25-20(24)18-11-10-15(26-18)13-29-19-9-4-3-8-17(19)23-21(27)22-14-6-5-7-16(12-14)28-2/h3-12H,13H2,1-2H3,(H2,22,23,27)
PubChem CID2796363
ChEMBLCHEMBL2140171
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
878Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463055Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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