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GPCR

NameGlucagon-like peptide 1 receptor
SpeciesHomo sapiens (Human)
GeneGLP1R
Synonymglucagon-like peptide 1 receptor
GLP-1R
GLP-1-R
GLP-1 receptor
DiseaseType 1/2 diabetes
Type 1 diabetes
Obesity
Non-insulin dependent diabetes
Non-alcoholic steatohepatitis
[ Show all ]
Length463
Amino acid sequenceMAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProtP43220
Protein Data Bank5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv
GPCR-HGmod modelP43220
3D structure modelThis structure is from PDB ID 5vex.
BioLiPBL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966
Therapeutic Target DatabaseT36075
ChEMBLCHEMBL1784
IUPHAR249
DrugBankBE0000857

Ligand

NameMLS000830378
Molecular formulaC28H26F3N3O2
IUPAC namemethyl (6S)-3-benzyl-2-benzylimino-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
Molecular weight493.53
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.3
Synonymsmethyl (4S)-1-benzyl-2-(benzylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
SMR000672084
CHEMBL1702299
(4S)-1-benzyl-2-(benzylamino)-6-methyl-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid methyl ester
methyl (4S)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
[ Show all ]
Inchi KeyCNTLZAQKZNARDW-VWLOTQADSA-N
Inchi IDInChI=1S/C28H26F3N3O2/c1-19-24(26(35)36-2)25(22-14-9-15-23(16-22)28(29,30)31)33-27(32-17-20-10-5-3-6-11-20)34(19)18-21-12-7-4-8-13-21/h3-16,25H,17-18H2,1-2H3,(H,32,33)/t25-/m0/s1
PubChem CID135871468
ChEMBLCHEMBL1702299
IUPHARN/A
BindingDB79290
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency28183.8 nMPubChem BioAssay data setChEMBL

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