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Ligand

NameSMR000001967
Molecular formulaC20H21N3O3S
IUPAC nameethyl 2-[[4-benzyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
Molecular weight383.466
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
Synonymsethyl 2-[[(5Z)-4-benzyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate
2-[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-propionic acid ethyl ester
AKOS000719711
MLS000035844
ethyl 2-[[4-benzyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate
[ Show all ]
Inchi KeyADMQIRCNQFXFEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O3S/c1-3-26-19(25)14(2)27-20-22-21-18(16-11-7-8-12-17(16)24)23(20)13-15-9-5-4-6-10-15/h4-12,14,24H,3,13H2,1-2H3
PubChem CID654779
ChEMBLCHEMBL1506373
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
557369Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
557368Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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