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Ligand

NameSMR000019512
Molecular formulaC15H8ClNO3S2
IUPAC name3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
Molecular weight349.803
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsMLS000043085
5-chloro-2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzoxazole
3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
ChemDiv2_004373
AC1MG1I5
[ Show all ]
Inchi KeyAFYRYLBMABOAHJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H
PubChem CID2928973
ChEMBLCHEMBL1531073
IUPHARN/A
BindingDB37054
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4626Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
4623Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
4625Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
4624Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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