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Ligand

NameOprea1_804678
Molecular formulaC19H15N5O3S
IUPAC name3-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Molecular weight393.421
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.3
Synonyms3-[2-(5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetylamino]-benzoic acid
AKOS000736981
CHEMBL1360279
HMS2875P23
MLS001212724
[ Show all ]
Inchi KeyGRPTWTHXAPTZDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15N5O3S/c1-24-14-8-3-2-7-13(14)16-17(24)21-19(23-22-16)28-10-15(25)20-12-6-4-5-11(9-12)18(26)27/h2-9H,10H2,1H3,(H,20,25)(H,26,27)
PubChem CID24000844
ChEMBLCHEMBL1360279
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
103640Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
103641Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
103642Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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