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Ligand

NameAC1NIO8B
Molecular formulaC22H26N4O4S
IUPAC name3-cyano-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]benzamide
Molecular weight442.534
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.1
SynonymsMLS001002694
CHEMBL1465419
MolPort-004-280-647
ZINC9493990
AKOS033967145
[ Show all ]
Inchi KeyHADQBIPLYUFVCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N4O4S/c1-3-26(4-2)31(28,29)19-8-9-21(25-10-12-30-13-11-25)20(15-19)24-22(27)18-7-5-6-17(14-18)16-23/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,24,27)
PubChem CID4834173
ChEMBLCHEMBL1465419
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
109731Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
109732Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
109733Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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