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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

NameCHEMBL3582322
Molecular formulaC25H20FN9O2
IUPAC name3-[(1R,3R)-3-[5-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-4H-1,2,4-oxadiazol-5-one
Molecular weight497.494
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.5
SynonymsBDBM50091514
Inchi KeyAFHKVSNSPKNANW-KBMIEXCESA-N
Inchi IDInChI=1S/C25H20FN9O2/c1-35-12-13(9-29-35)25(23-32-24(36)37-34-23)21-16(15-4-2-3-5-17(15)30-21)8-19(33-25)22-28-11-20(31-22)18-7-6-14(26)10-27-18/h2-7,9-12,19,30,33H,8H2,1H3,(H,28,31)(H,32,34,36)/t19-,25-/m1/s1
PubChem CID137062183
ChEMBLCHEMBL3582322
IUPHARN/A
BindingDB50091514
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50888.0 nMPMID26005524BindingDB
IC50888.4 nMPMID26005524ChEMBL
IC501948.0 nMPMID26005524BindingDB,ChEMBL

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