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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

NameMLS000544661
Molecular formulaC18H12Br2N4
IUPAC name2,4-bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
Molecular weight444.13
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.6
SynonymsSMR000164076
2,4-bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
2,4-bis(3-bromophenyl)-7-methyl-2H-pyrazolo[3,4-d]pyridazine
AC1LO5OX
CHEMBL1536422
[ Show all ]
Inchi KeyAECFCCDRHPPLMX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H12Br2N4/c1-11-17-16(10-24(23-17)15-7-3-6-14(20)9-15)18(22-21-11)12-4-2-5-13(19)8-12/h2-10H,1H3
PubChem CID1214669
ChEMBLCHEMBL1536422
IUPHARN/A
BindingDB88589
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency7943.3 nMPubChem BioAssay data setChEMBL

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