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GPCR

NameMetabotropic glutamate receptor 1
SpeciesHomo sapiens (Human)
GeneGRM1
SynonymSCAR13
MGLUR1
mGlu1 receptor
metabotropic glutamate receptor 1
GPRC1A
[ Show all ]
DiseaseAlzheimer disease; Huntington's disease
Neurological disease
Neuropathic pain
Schizophrenia
Pain
Length1194
Amino acid sequenceMVGLLLFFFPAIFLEVSLLPRSPGRKVLLAGASSQRSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHTLDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLISIRDEKDGINRCLPDGQSLPPGRTKKPIAGVIGPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTLQARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDKIYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVGEFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLDTNTRNPWFPEFWQHRFQCRLPGHLLENPNFKRICTGNESLEENYVQDSKMGFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGSKLLDFLIKSSFIGVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDYKIQMNKSGVVRSVCSEPCLKGQIKVIRKGEVSCCWICTACKENEYVQDEFTCKACDLGWWPNADLTGCEPIPVRYLEWSNIESIIAIAFSCLGILVTLFVTLIFVLYRDTPVVKSSSRELCYIILAGIFLGYVCPFTLIAKPTTTSCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIASILISVQLTLVVTLIIMEPPMPILSYPSIKEVYLICNTSNLGVVAPLGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTCFAVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKLPCRSNTFLNIFRRKKAGAGNANSNGKSVSWSEPGGGQVPKGQHMWHRLSVHVKTNETACNQTAVIKPLTKSYQGSGKSLTFSDTSTKTLYNVEEEEDAQPIRFSPPGSPSMVVHRRVPSAATTPPLPSHLTAEETPLFLAEPALPKGLPPPLQQQQQPPPQQKSLMDQLQGVVSNFSTAIPDFHAVLAGPGGPGNGLRSLYPPPPPPQHLQMLPLQLSTFGEELVSPPADDDDDSERFKLLQEYVYEHEREGNTEEDELEEEEEDLQAASKLTPDDSPALTPPSPFRDSVASGSSVPSSPVSESVLCTPPNVSYASVILRDYKQSSSTL
UniProtQ13255
Protein Data Bank4or2, 3ks9
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4or2.
BioLiPBL0271871,BL0271876, BL0271872,BL0271873,BL0271874,, BL0174211,BL0174213, BL0174210,BL0174212
Therapeutic Target DatabaseT27137
ChEMBLCHEMBL3772
IUPHAR289
DrugBankBE0000824

Ligand

NameCHEMBL1784050
Molecular formulaC19H13FN4O2S
IUPAC name5-(3-fluoro-4-methoxyphenyl)-13-(prop-2-ynylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight380.397
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50345951
SCHEMBL8245801
3-(3-Fluoro-4-methoxy-phenyl)-9-prop-2-ynylamino-3H-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one
Inchi KeyCSZHNKILGMSWKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13FN4O2S/c1-3-7-21-13-6-8-22-18-15(13)16-17(27-18)19(25)24(10-23-16)11-4-5-14(26-2)12(20)9-11/h1,4-6,8-10H,7H2,2H3,(H,21,22)
PubChem CID54585850
ChEMBLCHEMBL1784050
IUPHARN/A
BindingDB50345951
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5012.5 nMPMID19433355ChEMBL
IC5013.0 nMPMID19433355BindingDB

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