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Ligand

NameMLS001142121
Molecular formulaC21H23ClN4O5S
IUPAC name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
Molecular weight478.948
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.1
SynonymsAKOS007986135
Z29408449
HMS3038A08
1-(4-chlorobenzenesulfonyl)-4-[3-nitro-4-(pyrrolidin-1-yl)benzoyl]piperazine
MolPort-009-501-844
[ Show all ]
Inchi KeyAHOVXHBQKOWWHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClN4O5S/c22-17-4-6-18(7-5-17)32(30,31)25-13-11-24(12-14-25)21(27)16-3-8-19(20(15-16)26(28)29)23-9-1-2-10-23/h3-8,15H,1-2,9-14H2
PubChem CID24980155
ChEMBLCHEMBL1722226
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5777Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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