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Ligand

NameMLS001030387
Molecular formulaC21H23N3O5S
IUPAC nameN-cyclohexyl-5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzenesulfonamide
Molecular weight429.491
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.4
SynonymsCHEMBL1477514
MolPort-007-951-215
HMS2958M04
ZINC9503542
AKOS002120968
[ Show all ]
Inchi KeyBMDFDMUDFBRYBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N3O5S/c1-29-17-10-9-14(12-18(17)30(27,28)23-15-6-3-2-4-7-15)13-24-20(25)16-8-5-11-22-19(16)21(24)26/h5,8-12,15,23H,2-4,6-7,13H2,1H3
PubChem CID20970002
ChEMBLCHEMBL1477514
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
27359Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
27361Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
27360Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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