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Ligand

NameMLS001116669
Molecular formulaC21H23N3O5S
IUPAC name6-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
Molecular weight429.491
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.1
SynonymsCHEMBL1330832
HMS2961B12
AKOS001950969
AKOS021655912
MCULE-9170605303
[ Show all ]
Inchi KeyBKSSUWJVUFJNKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N3O5S/c1-14-6-3-4-11-24(14)30(27,28)18-12-15(8-9-17(18)29-2)13-23-20(25)16-7-5-10-22-19(16)21(23)26/h5,7-10,12,14H,3-4,6,11,13H2,1-2H3
PubChem CID20923126
ChEMBLCHEMBL1330832
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26132Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
26133Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
26131Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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