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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

NameSomatostatin receptor type 3
SpeciesHomo sapiens (Human)
GeneSSTR3
SynonymSSR-28
SS3R
SS3-R
SS-3-R
SRIF1C
[ Show all ]
DiseaseN/A
Length418
Amino acid sequenceMDMLHPSSVSTTSEPENASSAWPPDATLGNVSAGPSPAGLAVSGVLIPLVYLVVCVVGLLGNSLVIYVVLRHTASPSVTNVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRAGFIIYTAALGFFGPLLVICLCYLLIVVKVRSAGRRVWAPSCQRRRRSERRVTRMVVAVVALFVLCWMPFYVLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRVLLRPSRRVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGRVSQITQPGTSGQERPPSRVASKEQQLLPQEASTGEKSSTMRISYL
UniProtP32745
Protein Data BankN/A
GPCR-HGmod modelP32745
3D structure modelThis predicted structure model is from GPCR-EXP P32745.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2028
IUPHAR357
DrugBankBE0003529

Ligand

NameCHEMBL3287620
Molecular formulaC21H23FN2O3
IUPAC name4-[[[(1S,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]amino]methyl]benzoic acid
Molecular weight370.424
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.9
SynonymsBDBM50021070
Inchi KeyBEVSHJAHVBSZBK-RBUKOAKNSA-N
Inchi IDInChI=1S/C21H23FN2O3/c22-17-11-9-15(10-12-17)20(25)24-19-4-2-1-3-18(19)23-13-14-5-7-16(8-6-14)21(26)27/h5-12,18-19,23H,1-4,13H2,(H,24,25)(H,26,27)/t18-,19+/m0/s1
PubChem CID90644988
ChEMBLCHEMBL3287620
IUPHARN/A
BindingDB50021070
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity62.0 %PMID24944745ChEMBL
EC5015200.0 nMPMID24944745BindingDB,ChEMBL
Ki<12000.0 nMPMID24944745BindingDB,ChEMBL

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