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GPCR

NameSomatostatin receptor type 2
SpeciesHomo sapiens (Human)
GeneSSTR2
Synonymsomatotropin release-inhibiting factor receptor
SRIF-1
SS-2-R
SS2-R
SS2R
[ Show all ]
DiseaseAcromegaly
Lung cancer
Neuroendocrine cancer
Length369
Amino acid sequenceMDMADEPLNGSHTWLSIPFDLNGSVVSTNTSNQTEPYYDLTSNAVLTFIYFVVCIIGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYTFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSMAISPTPALKGMFDFVVVLTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGTDDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProtP30874
Protein Data BankN/A
GPCR-HGmod modelP30874
3D structure modelThis predicted structure model is from GPCR-EXP P30874.
BioLiPN/A
Therapeutic Target DatabaseT53024
ChEMBLCHEMBL1804
IUPHAR356
DrugBankBE0003528

Ligand

NameCHEMBL426072
Molecular formulaC25H25N5S
IUPAC name3-[3-[2-(1H-indol-3-yl)ethylsulfanyl]-5-naphthalen-2-yl-1,2,4-triazol-4-yl]propan-1-amine
Molecular weight427.57
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50169479
SCHEMBL3811918
3-{3-[2-(1H-Indol-3-yl)-ethylsulfanyl]-5-naphthalen-2-yl-[1,2,4]triazol-4-yl}-propylamine
Inchi KeyBWXQCLKEXFOZQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N5S/c26-13-5-14-30-24(20-11-10-18-6-1-2-7-19(18)16-20)28-29-25(30)31-15-12-21-17-27-23-9-4-3-8-22(21)23/h1-4,6-11,16-17,27H,5,12-15,26H2
PubChem CID44397834
ChEMBLCHEMBL426072
IUPHARN/A
BindingDB50169479
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki640.0 nMPMID15982879BindingDB,ChEMBL

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