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GPCR

NameGalanin receptor type 3
SpeciesHomo sapiens (Human)
GeneGALR3
SynonymGAL3-R
Galnr3
GALR-3
GALR3
GAL3 receptor
DiseaseCognitive disorders
Length368
Amino acid sequenceMADAQNISLDSPGSVGAVAVPVVFALIFLLGTVGNGLVLAVLLQPGPSAWQEPGSTTDLFILNLAVADLCFILCCVPFQATIYTLDAWLFGALVCKAVHLLIYLTMYASSFTLAAVSVDRYLAVRHPLRSRALRTPRNARAAVGLVWLLAALFSAPYLSYYGTVRYGALELCVPAWEDARRRALDVATFAAGYLLPVAVVSLAYGRTLRFLWAAVGPAGAAAAEARRRATGRAGRAMLAVAALYALCWGPHHALILCFWYGRFAFSPATYACRLASHCLAYANSCLNPLVYALASRHFRARFRRLWPCGRRRRHRARRALRRVRPASSGPPGCPGDARPSGRLLAGGGQGPEPREGPVHGGEAARGPE
UniProtO60755
Protein Data BankN/A
GPCR-HGmod modelO60755
3D structure modelThis predicted structure model is from GPCR-EXP O60755.
BioLiPN/A
Therapeutic Target DatabaseT98494
ChEMBLCHEMBL2731
IUPHAR245
DrugBankN/A

Ligand

NameMLS000662478
Molecular formulaC17H16N4OS
IUPAC name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide
Molecular weight324.402
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
Synonyms2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-quinolinyl)acetamide
BRD-K54100566-001-01-2
ZINC528219
SR-01000288037
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-quinolin-4-ylacetamide
[ Show all ]
Inchi KeyGIBBLZZAENGNDT-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H16N4OS/c1-11-9-12(2)20-17(19-11)23-10-16(22)21-15-7-8-18-14-6-4-3-5-13(14)15/h3-9H,10H2,1-2H3,(H,18,21,22)
PubChem CID934786
ChEMBLCHEMBL1487720
IUPHARN/A
BindingDB97095
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50873.62 nM, PubChem BioAssay data setBindingDB,ChEMBL

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