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GPCR

NameMetabotropic glutamate receptor 5
SpeciesHomo sapiens (Human)
GeneGRM5
SynonymmGlu5 receptor
glutamate receptor
GPRC1E
mGluR5
DiseaseCentral nervous system disease
Chronic neuropathic pain
Fragile X syndrome
Major depressive disorder; GERD; Chronic neuropathic pain
Autism
[ Show all ]
Length1212
Amino acid sequenceMVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSSRGQHLWQRLSIHINKKENPNQTAVIKPFPKSTESRGLGAGAGAGGSAGGVGATGGAGCAGAGPGGPESPDAGPKALYDVAEAEEHFPAPARPRSPSPISTLSHRAGSASRTDDDVPSLHSEPVARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAAPSPGVGAPLCSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQPAAGAQAAGDAARESPAAGPEAAAAKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
UniProtP41594
Protein Data Bank4oo9, 5cgc, 5cgd, 6ffh, 6ffi, 6n4x, 6n4y, 6n50, 6n51, 3lmk
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4oo9.
BioLiPBL0176927,BL0176931, BL0176928,BL0176929,BL0176930, BL0281199, BL0322076, BL0322077, BL0407724, BL0438693, BL0438694, BL0438695,BL0438696,BL0438697, BL0407725, BL0438698,BL0438699
Therapeutic Target DatabaseT99347
ChEMBLCHEMBL3227
IUPHAR293
DrugBankBE0001192

Ligand

NameCHEMBL493571
Molecular formulaC14H11N3O
IUPAC name4-cyano-N-(6-methylpyridin-2-yl)benzamide
Molecular weight237.262
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.1
Synonyms1019385-85-3
MCULE-9325714982
ZINC12538317
4-Cyano-N-(6-methylpyridin-2-yl)-benzamide
MolPort-004-359-737
[ Show all ]
Inchi KeyAXSOUIICIQVSBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11N3O/c1-10-3-2-4-13(16-10)17-14(18)12-7-5-11(9-15)6-8-12/h2-8H,1H3,(H,16,17,18)
PubChem CID25344457
ChEMBLCHEMBL493571
IUPHARN/A
BindingDB50258370
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition<70.0 %PMID19445453ChEMBL
Ki<10000.0 nMPMID19445453BindingDB,ChEMBL

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