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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameMetabotropic glutamate receptor 3
SpeciesRattus norvegicus (Rat)
GeneGrm3
SynonymmGluR3
mGlu3 receptor
GPRC1C
glutamate receptor
DiseaseN/A for non-human GPCRs
Length879
Amino acid sequenceMKMLTRLQILMLALFSKGFLLSLGDHNFMRREIKIEGDLVLGGLFPINEKGTGTEECGRINEDRGIQRLEAMLFAIDEINKDNYLLPGVKLGVHILDTCSRDTYALEQSLEFVRASLTKVDEAEYMCPDGSYAIQENIPLLIAGVIGGSYSSVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAKAMAEILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGRSNIRKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAANRVNASFTWVASDGWGAQESIVKGSEHVAYGAITLELASHPVRQFDRYFQSLNPYNNHRNPWFRDFWEQKFQCSLQNKRNHRQVCDKHLAIDSSNYEQESKIMFVVNAVYAMAHALHKMQRTLCPNTTKLCDAMKILDGKKLYKEYLLKINFTAPFNPNKGADSIVKFDTFGDGMGRYNVFNLQQTGGKYSYLKVGHWAETLSLDVDSIHWSRNSVPTSQCSDPCAPNEMKNMQPGDVCCWICIPCEPYEYLVDEFTCMDCGPGQWPTADLSGCYNLPEDYIKWEDAWAIGPVTIACLGFLCTCIVITVFIKHNNTPLVKASGRELCYILLFGVSLSYCMTFFFIAKPSPVICALRRLGLGTSFAICYSALLTKTNCIARIFDGVKNGAQRPKFISPSSQVFICLGLILVQIVMVSVWLILETPGTRRYTLPEKRETVILKCNVKDSSMLISLTYDVVLVILCTVYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKVHIVLFQPQKNVVTHRLHLNRFSVSGTATTYSQSSASTYVPTVCNGREVLDSTTSSL
UniProtP31422
Protein Data Bank2e4u, 2e4v, 2e4w, 2e4x, 2e4y
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 2e4u.
BioLiPBL0086116,BL0086117, BL0086120,BL0086121, BL0086118,BL0086119, BL0086114,BL0086115, BL0086112,BL0086113
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3067
IUPHAR291
DrugBankN/A

Ligand

NameSCHEMBL17334372
Molecular formulaC20H17F3N4O
IUPAC name(7S)-2-[(2,5-difluoroanilino)methyl]-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Molecular weight386.378
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsUS9676782, 71
BDBM196727
(s)-2-(((2,5-difluorophenyl)amino)methyl)-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
Inchi KeyFFSARCDIJCEKAU-LBPRGKRZSA-N
Inchi IDInChI=1S/C20H17F3N4O/c1-12-11-26(16-5-2-13(21)3-6-16)20(28)19-9-15(25-27(12)19)10-24-18-8-14(22)4-7-17(18)23/h2-9,12,24H,10-11H2,1H3/t12-/m0/s1
PubChem CID118575131
ChEMBLN/A
IUPHARN/A
BindingDB196727
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501310.0 nMN/ABindingDB

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