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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

NameCHEMBL1922021
Molecular formulaC25H30FN5O2
IUPAC name6-N-(cyclohexylmethyl)-4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4,6-triamine
Molecular weight451.546
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.7
SynonymsBDBM50358669
SCHEMBL10143485
Inchi KeyBDISGJJDTGNEDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30FN5O2/c1-32-20-11-8-18(9-12-20)29-25-30-23(27-16-17-6-4-3-5-7-17)15-24(31-25)28-19-10-13-22(33-2)21(26)14-19/h8-15,17H,3-7,16H2,1-2H3,(H3,27,28,29,30,31)
PubChem CID57401226
ChEMBLCHEMBL1922021
IUPHARN/A
BindingDB50358669
DrugBankN/A

Structure

SDF download

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

Experimental Data

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

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