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Ligand

NameMLS000936863
Molecular formulaC19H19N5O3S
IUPAC nameN-(2-methoxyphenyl)-4-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide
Molecular weight397.453
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.0
SynonymsHMS2909E06
AKOS001765441
MolPort-007-596-506
CHEMBL1388847
SMR000621444
[ Show all ]
Inchi KeyBAOOGMVJKNQYEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N5O3S/c1-23-18(26)17-13(10-11-28-17)24-15(21-22-19(23)24)8-5-9-16(25)20-12-6-3-4-7-14(12)27-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,25)
PubChem CID15988012
ChEMBLCHEMBL1388847
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
19033Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
19032Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
19034Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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