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Ligand

NameMLS001116560
Molecular formulaC21H19N3O6S
IUPAC name5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
Molecular weight441.458
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.6
SynonymsCHEMBL1545457
MolPort-007-771-522
HMS2958K18
ZINC9226309
AKOS001554892
[ Show all ]
Inchi KeyBCZHYRSLVLVNSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19N3O6S/c1-13-5-7-15(30-13)11-23-31(27,28)18-10-14(6-8-17(18)29-2)12-24-20(25)16-4-3-9-22-19(16)21(24)26/h3-10,23H,11-12H2,1-2H3
PubChem CID20923178
ChEMBLCHEMBL1545457
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
20711Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
20713Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
20712Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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