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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

NameCHEMBL1922001
Molecular formulaC28H34F3N7
IUPAC nameN-(2,5-dimethylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyrimidin-4-amine
Molecular weight525.624
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.7
SynonymsSCHEMBL10144203
BDBM50358660
Inchi KeyLCAIIGMHVYEWEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34F3N7/c1-20-9-10-21(2)23(18-20)33-24-19-25(36-12-4-3-5-13-36)35-27(34-24)38-15-7-14-37(16-17-38)26-22(28(29,30)31)8-6-11-32-26/h6,8-11,18-19H,3-5,7,12-17H2,1-2H3,(H,33,34,35)
PubChem CID57395994
ChEMBLCHEMBL1922001
IUPHARN/A
BindingDB50358660
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC503900.0 nMPMID22018787BindingDB,ChEMBL
Inhibition60.0 %PMID22018787ChEMBL

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