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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

NameCHEMBL1922000
Molecular formulaC27H32F3N7O
IUPAC nameN-(4-methoxyphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyrimidin-4-amine
Molecular weight527.596
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL10144202
BDBM50358659
Inchi KeyPJVQMHBMXWZOOP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32F3N7O/c1-38-21-10-8-20(9-11-21)32-23-19-24(35-13-3-2-4-14-35)34-26(33-23)37-16-6-15-36(17-18-37)25-22(27(28,29)30)7-5-12-31-25/h5,7-12,19H,2-4,6,13-18H2,1H3,(H,32,33,34)
PubChem CID57397798
ChEMBLCHEMBL1922000
IUPHARN/A
BindingDB50358659
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC503350.0 nMPMID22018787BindingDB,ChEMBL
Inhibition60.0 %PMID22018787ChEMBL

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