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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

NameCHEMBL607689
Molecular formulaC20H22FN3
IUPAC name2-[[4-(2-fluorophenyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
Molecular weight323.415
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
Synonyms(4-(2-fluorophenyl)piperidin-1-ylmethyl)-1-methyl-1H-benzo[d]imidazole
2-((4-(2-Fluorophenyl)piperidin-1-yl)methyl)-1-methyl-1H-benzo-[d]imidazole
2-((4-(2-fluorophenyl)piperidin-1-yl)methyl)-1-methyl-1H-benzo[d]imidazole
AMADNKXMEDYTCS-UHFFFAOYSA-N
BDBM50343299
Inchi KeyAMADNKXMEDYTCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22FN3/c1-23-19-9-5-4-8-18(19)22-20(23)14-24-12-10-15(11-13-24)16-6-2-3-7-17(16)21/h2-9,15H,10-14H2,1H3
PubChem CID24815439
ChEMBLCHEMBL607689
IUPHARN/A
BindingDB50343299
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<15848.9 nMPMID20005096BindingDB,ChEMBL

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