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Ligand

NameSMR000363287
Molecular formulaC17H19ClN2O7S2
IUPAC name4-[5-[2-(2-chloro-5-nitrobenzoyl)oxyethyl]-4-methyl-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate
Molecular weight462.916
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.2
SynonymsAC1M4IFE
MLS001018814
MLS003911232
CHEMBL1423887
MolPort-009-217-181
[ Show all ]
Inchi KeyAJECNCFBLCRTNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN2O7S2/c1-12-16(28-11-19(12)7-2-3-9-29(24,25)26)6-8-27-17(21)14-10-13(20(22)23)4-5-15(14)18/h4-5,10-11H,2-3,6-9H2,1H3
PubChem CID2308387
ChEMBLCHEMBL1423887
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
6827Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
6828Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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