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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

NameCHEMBL434159
Molecular formulaC27H28N6OS
IUPAC name3-[[4-(4-aminobutyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-1H-indol-3-yl)propan-1-one
Molecular weight484.622
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50169465
3-[4-(4-Amino-butyl)-5-quinolin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(7-methyl-1H-indol-3-yl)-propan-1-one
Inchi KeyBLKXHWDWRVLQGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N6OS/c1-18-7-6-9-20-21(17-29-25(18)20)24(34)13-16-35-27-32-31-26(33(27)15-5-4-14-28)23-12-11-19-8-2-3-10-22(19)30-23/h2-3,6-12,17,29H,4-5,13-16,28H2,1H3
PubChem CID11705763
ChEMBLCHEMBL434159
IUPHARN/A
BindingDB50169465
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki170.0 nMPMID15982879BindingDB,ChEMBL

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