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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

NameExtracellular calcium-sensing receptor
SpeciesRattus norvegicus (Rat)
GeneCasr
SynonymPCaR1
Parathyroid cell calcium-sensing receptor
GPRC2A
extracellular calcium-sensing receptor
divalent cation-sensing receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length1079
Amino acid sequenceMASYSCCLALLALAWHSSAYGPDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPSLLPNMTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQYKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQQVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGRIWLASEAWASSSLIAMPEYFHVVGGTIGFGLKAGQIPGFREFLQKVHPRKSVHNGFAKEFWEETFNCHLQEGAKGPLPVDTFVRSHEEGGNRLLNSSTAFRPLCTGDENINSVETPYMDYEHLRISYNVYLAVYSIAHALQDIYTCLPGRGLFTNGSCADIKKVEAWQVLKHLRHLNFTNNMGEQVTFDECGDLVGNYSIINWHLSPEDGSIVFKEVGYYNVYAKKGERLFINEEKILWSGFSREVPFSNCSRDCQAGTRKGIIEGEPTCCFECVECPDGEYSGETDASACDKCPDDFWSNENHTSCIAKEIEFLAWTEPFGIALTLFAVLGIFLTAFVLGVFIKFRNTPIVKATNRELSYLLLFSLLCCFSSSLFFIGEPQDWTCRLRQPAFGISFVLCISCILVKTNRVLLVFEAKIPTSFHRKWWGLNLQFLLVFLCTFMQILICIIWLYTAPPSSYRNHELEDEIIFITCHEGSLMALGSLIGYTCLLAAICFFFAFKSRKLPENFNEAKFITFSMLIFFIVWISFIPAYASTYGKFVSAVEVIAILAASFGLLACIFFNKVYIILFKPSRNTIEEVRSSTAAHAFKVAARATLRRPNISRKRSSSLGGSTGSIPSSSISSKSNSEDRFPQPERQKQQQPLSLTQQEQQQQPLTLHPQQQQQPQQPRCKQKVIFGSGTVTFSLSFDEPQKNAMAHRNSMRQNSLEAQRSNDTLGRHQALLPLQCADADSEMTIQETGLQGPMVGDHQPEMESSDEMSPALVMSTSRSFVISGGGSSVTENVLHS
UniProtP48442
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2516
IUPHAR54
DrugBankN/A

Ligand

NameCHEMBL3753306
Molecular formulaC21H19N3O2
IUPAC name(1R)-1-naphthalen-1-yl-N-[(7-nitro-1H-indol-2-yl)methyl]ethanamine
Molecular weight345.402
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50140173
J3.541.103H
(1R)-N-(7-Nitro-1H-indole-2-ylmethyl)-1-(1-naphthyl)ethanamine
Inchi KeyVFNKRNJLVCWDAT-CQSZACIVSA-N
Inchi IDInChI=1S/C21H19N3O2/c1-14(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24(25)26)21(16)23-17/h2-12,14,22-23H,13H2,1H3/t14-/m1/s1
PubChem CID127036924
ChEMBLCHEMBL3753306
IUPHARN/A
BindingDB50140173
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity70.0 %PMID26752095ChEMBL
Activity102.0 %PMID26752095ChEMBL
EC5020.0 nMPMID26752095BindingDB,ChEMBL
EC5020.42 nMPMID26752095ChEMBL

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