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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

NameCHEMBL3775846
Molecular formulaC26H28N4O
IUPAC name(1R,3R)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular weight412.537
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50154546
Inchi KeyBDJVOWCIFUMRCN-ISKFKSNPSA-N
Inchi IDInChI=1S/C26H28N4O/c1-16-23(17-7-3-2-4-8-17)30-26(27-16)22-15-20-19-9-5-6-10-21(19)28-25(20)24(29-22)18-11-13-31-14-12-18/h2-10,18,22,24,28-29H,11-15H2,1H3,(H,27,30)/t22-,24-/m1/s1
PubChem CID127033871
ChEMBLCHEMBL3775846
IUPHARN/A
BindingDB50154546
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<1000.0 nMPMID26898814BindingDB,ChEMBL
IC50573.0 nMPMID26898814BindingDB,ChEMBL
Inhibition18.0 %PMID26898814ChEMBL

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