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Ligand

NameMLS000547988
Molecular formulaC17H21N5OS2
IUPAC nameN-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Molecular weight375.509
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsAC1MRPII
AKOS002344741
AKOS022077628
AN-698/41781287
BDBM62932
[ Show all ]
Inchi KeyAGLASYWIWYJCCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N5OS2/c1-17(2,3)10-4-5-11-12(7-18)15(25-13(11)6-10)21-14(23)8-24-16-19-9-20-22-16/h9-10H,4-6,8H2,1-3H3,(H,21,23)(H,19,20,22)
PubChem CID3496607
ChEMBLCHEMBL1612633
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
4984Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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