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Ligand

NameMLS000624310
Molecular formulaC16H17N5O2S
IUPAC nameethyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
Molecular weight343.405
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.4
Synonyms2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butanoic acid ethyl ester
2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butyric acid ethyl ester
868969-31-7
AKOS024612852
BDBM63444
[ Show all ]
Inchi KeyBUPVLXNJKKOQAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17N5O2S/c1-3-12(16(22)23-4-2)24-14-8-7-13-18-19-15(21(13)20-14)11-6-5-9-17-10-11/h5-10,12H,3-4H2,1-2H3
PubChem CID16189291
ChEMBLCHEMBL1341871
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
33262Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
33263Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
33264Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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