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Ligand

NameC22H31BrN2O5S
Molecular formulaC22H31BrN2O5S
IUPAC name4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-ethoxycarbonyloctanoic acid;hydrobromide
Molecular weight515.463
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
SynonymsMLS000777701
CHEMBL1611545
MolPort-009-766-061
AKOS030506773
SMR000414149
[ Show all ]
Inchi KeyAARJBBBRMXBWSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O5S.BrH/c1-4-7-13-22(14-12-19(25)26,20(27)29-6-3)18-15-30-21(24-18)23-16-8-10-17(11-9-16)28-5-2;/h8-11,15H,4-7,12-14H2,1-3H3,(H,23,24)(H,25,26);1H
PubChem CID16682163
ChEMBLCHEMBL1611545
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
459Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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