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GPCR

NameGalanin receptor type 1
SpeciesHomo sapiens (Human)
GeneGALR1
SynonymGAL1-R
GALNR
GALNR1
GALR-1
GAL1 receptor
DiseaseEpileptic seizures
Length349
Amino acid sequenceMELAVGNLSEGNASWPEPPAPEPGPLFGIGVENFVTLVVFGLIFALGVLGNSLVITVLARSKPGKPRSTTNLFILNLSIADLAYLLFCIPFQATVYALPTWVLGAFICKFIHYFFTVSMLVSIFTLAAMSVDRYVAIVHSRRSSSLRVSRNALLGVGCIWALSIAMASPVAYHQGLFHPRASNQTFCWEQWPDPRHKKAYVVCTFVFGYLLPLLLICFCYAKVLNHLHKKLKNMSKKSEASKKKTAQTVLVVVVVFGISWLPHHIIHLWAEFGVFPLTPASFLFRITAHCLAYSNSSVNPIIYAFLSENFRKAYKQVFKCHIRKDSHLSDTKESKSRIDTPPSTNCTHV
UniProtP47211
Protein Data BankN/A
GPCR-HGmod modelP47211
3D structure modelThis predicted structure model is from GPCR-EXP P47211.
BioLiPN/A
Therapeutic Target DatabaseT78581
ChEMBLCHEMBL4894
IUPHAR243
DrugBankN/A

Ligand

NameCHEMBL1922022
Molecular formulaC26H27FN8O2
IUPAC name4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
Molecular weight502.554
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50358670
SCHEMBL10143488
Inchi KeyMGOYDGQTNJPALW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27FN8O2/c1-36-20-7-4-18(5-8-20)31-25-32-23(30-19-6-9-22(37-2)21(27)16-19)17-24(33-25)34-12-14-35(15-13-34)26-28-10-3-11-29-26/h3-11,16-17H,12-15H2,1-2H3,(H2,30,31,32,33)
PubChem CID57395996
ChEMBLCHEMBL1922022
IUPHARN/A
BindingDB50358670
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC503840.0 nMPMID22018787BindingDB,ChEMBL
Inhibition60.0 %PMID22018787ChEMBL

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