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Ligand

NameMLS000123364
Molecular formulaC17H17N3O5S3
IUPAC nameethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Molecular weight439.519
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP2.7
SynonymsSMR000123955
ethyl 2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
(5-{4-[(Thiophen-2-ylmethyl)-sulfamoyl]-phenyl}-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid ethyl ester
AC1MLKQP
CHEMBL1383506
[ Show all ]
Inchi KeyAOOMEGPGORJQQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H17N3O5S3/c1-2-24-15(21)11-27-17-20-19-16(25-17)12-5-7-14(8-6-12)28(22,23)18-10-13-4-3-9-26-13/h3-9,18H,2,10-11H2,1H3
PubChem CID3221353
ChEMBLCHEMBL1383506
IUPHARN/A
BindingDB62078
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
10422Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
10421Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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