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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

NameCHEMBL1922016
Molecular formulaC24H28FN5O2
IUPAC name6-(azepan-1-yl)-4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
Molecular weight437.519
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50358667
SCHEMBL10143623
Inchi KeyGYNPFZPNBMSFQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28FN5O2/c1-31-19-10-7-17(8-11-19)27-24-28-22(26-18-9-12-21(32-2)20(25)15-18)16-23(29-24)30-13-5-3-4-6-14-30/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,26,27,28,29)
PubChem CID57390716
ChEMBLCHEMBL1922016
IUPHARN/A
BindingDB50358667
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC505480.0 nMPMID22018787BindingDB,ChEMBL
Inhibition60.0 %PMID22018787ChEMBL

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