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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

NameSMR001217115
Molecular formulaC28H28F4N2O7
IUPAC namemethyl (3aR,4S,9aS,9bS)-4-[4-(4-fluorophenyl)-3-methoxyphenyl]-2-methyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate;2,2,2-trifluoroacetic acid
Molecular weight580.533
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogPNone
SynonymsHMS2225O04
MLS001362049
CHEMBL1520742
MLS003117815
Inchi KeyAACTWTRZMXFZKN-CPNWZACFSA-N
Inchi IDInChI=1S/C26H27FN2O5.C2HF3O2/c1-28-23(30)20-21(24(28)31)26(25(32)34-3)12-4-5-13-29(26)22(20)16-8-11-18(19(14-16)33-2)15-6-9-17(27)10-7-15;3-2(4,5)1(6)7/h6-11,14,20-22H,4-5,12-13H2,1-3H3;(H,6,7)/t20-,21-,22-,26+;/m1./s1
PubChem CID24981354
ChEMBLCHEMBL1520742
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Potency10000.0 nMPubChem BioAssay data setChEMBL

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