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Ligand

NameMLS000080860
Molecular formulaC16H16O5S2
IUPAC name(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
Molecular weight352.419
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
Synonyms(Z)-3,4-bis(phenylsulfonyl)but-2-en-1-ol
HMS2394J10
AC1NTW5P
(Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol
CHEMBL1465527
[ Show all ]
Inchi KeyAIAKDUWZCKEZRU-WJDWOHSUSA-N
Inchi IDInChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
PubChem CID5389617
ChEMBLCHEMBL1465527
IUPHARN/A
BindingDB36923
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6042Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
6040Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
6041Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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