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I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

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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

NameMetabotropic glutamate receptor 1
SpeciesHomo sapiens (Human)
GeneGRM1
SynonymGPRC1A
SCAR13
glutamate receptor, metabotropic 1
wobl
glutamate receptor
[ Show all ]
DiseasePain
Schizophrenia
Neuropathic pain
Neurological disease
Alzheimer disease; Huntington's disease
Length1194
Amino acid sequenceMVGLLLFFFPAIFLEVSLLPRSPGRKVLLAGASSQRSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHTLDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLISIRDEKDGINRCLPDGQSLPPGRTKKPIAGVIGPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTLQARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDKIYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVGEFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLDTNTRNPWFPEFWQHRFQCRLPGHLLENPNFKRICTGNESLEENYVQDSKMGFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGSKLLDFLIKSSFIGVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDYKIQMNKSGVVRSVCSEPCLKGQIKVIRKGEVSCCWICTACKENEYVQDEFTCKACDLGWWPNADLTGCEPIPVRYLEWSNIESIIAIAFSCLGILVTLFVTLIFVLYRDTPVVKSSSRELCYIILAGIFLGYVCPFTLIAKPTTTSCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIASILISVQLTLVVTLIIMEPPMPILSYPSIKEVYLICNTSNLGVVAPLGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTCFAVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKLPCRSNTFLNIFRRKKAGAGNANSNGKSVSWSEPGGGQVPKGQHMWHRLSVHVKTNETACNQTAVIKPLTKSYQGSGKSLTFSDTSTKTLYNVEEEEDAQPIRFSPPGSPSMVVHRRVPSAATTPPLPSHLTAEETPLFLAEPALPKGLPPPLQQQQQPPPQQKSLMDQLQGVVSNFSTAIPDFHAVLAGPGGPGNGLRSLYPPPPPPQHLQMLPLQLSTFGEELVSPPADDDDDSERFKLLQEYVYEHEREGNTEEDELEEEEEDLQAASKLTPDDSPALTPPSPFRDSVASGSSVPSSPVSESVLCTPPNVSYASVILRDYKQSSSTL
UniProtQ13255
Protein Data Bank3ks9, 4or2
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 3ks9.
BioLiPBL0174211,BL0174213, BL0271872,BL0271873,BL0271874,, BL0271871,BL0271876, BL0174210,BL0174212
Therapeutic Target DatabaseT27137
ChEMBLCHEMBL3772
IUPHAR289
DrugBankBE0000824

Ligand

NameCHEMBL453249
Molecular formulaC17H21N5O2
IUPAC nametert-butyl 4-(1-pyridin-3-yltriazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Molecular weight327.388
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.4
SynonymsSCHEMBL12975527
BZAKDBCUMWDPGV-UHFFFAOYSA-N
BDBM50273896
tert-Butyl 4-[1-(pyridin-3-yl)-1H-[1,2,3]triazol-4-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
tert-Butyl-4-[1-pyridin-3-yl-1 H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxylate
Inchi KeyBZAKDBCUMWDPGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3
PubChem CID44588461
ChEMBLCHEMBL453249
IUPHARN/A
BindingDB50273896
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5055.0 nMPMID18849168BindingDB,ChEMBL

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