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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

NameOctreotide
Molecular formulaC49H66N10O10S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1019.25
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP1.0
SynonymsLongastatin
Sandostatine
Octreotide Acetate Salt
Sandoz 201-995
DRG-0115
[ Show all ]
Inchi KeyDEQANNDTNATYII-UHFFFAOYSA-N
Inchi IDInChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)
PubChem CID383414
ChEMBLN/A
IUPHAR2055
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.12 nMPMID9652348PDSP
Ki0.125893 - 1.99526 nMPMID8769372, PMID9650799, PMID10598788, PMID7988476, PMID9724791, PMID9652348IUPHAR
Ki0.27 nMPMID9724791PDSP
Ki0.3 nMhttp://pubs.acs.org/cgi-bin/archive.cgi/jacsat/1998/120/i07/html/ja973325x.htmlPDSP
Ki0.31 nMPMID8769372PDSP
Ki0.316228 nMPMID9290757PDSP
Ki0.4 nMPMID10433861PDSP
Ki0.5 nMPMID8521788PDSP
Ki0.56 nMPMID9045884PDSP
Ki0.64 nMPMID10598788, PMID9652348PDSP
Ki0.645654 nMPMID9650799PDSP
Ki0.69 nMPMID10598788, PMID9652348PDSP
Ki0.77 nMPMID10598788PDSP
Ki0.776247 nMPMID9650799PDSP
Ki0.79 nMPMID10598788, PMID9652348PDSP
Ki2.1 nMPMID7988476PDSP
Ki2.69 nMPMID9652348PDSP

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