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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameGlucagon-like peptide 1 receptor
SpeciesHomo sapiens (Human)
GeneGLP1R
SynonymGLP-1-R
GLP-1 receptor
glucagon-like peptide 1 receptor
GLP-1R
DiseaseNon-insulin dependent diabetes
Type 2 diabetes
Type 1/2 diabetes
Type 1 diabetes
Obesity
[ Show all ]
Length463
Amino acid sequenceMAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProtP43220
Protein Data Bank5vew, 5otv, 3c5t, 4zgm, 3iol, 5otu, 5vex, 5otw, 5otx, 3c59, 5nx2
GPCR-HGmod modelP43220
3D structure modelThis structure is from PDB ID 5vew.
BioLiPBL0418500,BL0418501, BL0418494,BL0418495, BL0380967, BL0143732, BL0143731, BL0379513,BL0379514, BL0418496,BL0418497, BL0143795, BL0143794, BL0378791,BL0378792, BL0167480, BL0167479, BL0324355,BL0324356, BL0418498,BL0418499, BL0324354, BL0380966
Therapeutic Target DatabaseT36075
ChEMBLCHEMBL1784
IUPHAR249
DrugBankBE0000857

Ligand

NameMLS000103088
Molecular formulaC17H20N2OS
IUPAC name6-butylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Molecular weight300.42
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.2
Synonyms2-(butylsulfanyl)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(butylsulfanyl)-6-hydroxy-4-(2-methylphenyl)-4,5-dihydropyridine-3-carbonitrile
2-(butylthio)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
488827-24-3
6-(butylthio)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
[ Show all ]
Inchi KeyAAFJMTJWSYZCLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N2OS/c1-3-4-9-21-17-15(11-18)14(10-16(20)19-17)13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,19,20)
PubChem CID3772589
ChEMBLCHEMBL1570968
IUPHARN/A
BindingDB37490
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Potency28183.8 nMPubChem BioAssay data setChEMBL

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