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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

NameSOMATOSTATIN
Molecular formulaC76H104N18O19S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
Molecular weight1637.9
Hydrogen bond acceptor24
Hydrogen bond donor22
XlogP-3.1
Synonyms916S346
CB6417646
EINECS 254-186-5
L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine cyclic (3-14) disulfide
Somatostatin (pigeon)
[ Show all ]
Inchi KeyNHXLMOGPVYXJNR-ATOGVRKGSA-N
Inchi IDInChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
PubChem CID16129706
ChEMBLCHEMBL1823872
IUPHARN/A
BindingDB81767
DrugBankDB09099

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
N/A N/ADrugBank
EC500.1 nMPMID15982879BindingDB
EC500.1 nMPMID15982879ChEMBL
IC500.4 nMPMID16220980ChEMBL
IC500.67 nMPMID21806016BindingDB,ChEMBL
IC500.7 nMPMID24378707, PMID15658865ChEMBL
Ki0.0016 nMPMID24342240ChEMBL
Ki0.03 nMPMID9652348BindingDB
Ki0.035 nMPMID11520208ChEMBL
Ki0.04 nMPMID9724791, PMID12477342BindingDB,ChEMBL
Ki0.049 nMPMID11327607BindingDB
Ki0.049 nMPMID11327607ChEMBL
Ki0.068 nMPMID10818260BindingDB
Ki0.07 nMPMID10598788, PMID9652348BindingDB
Ki0.08 nMPMID10598788BindingDB
Ki0.083 nMPMID15982879ChEMBL
Ki0.083 nMPMID15982879BindingDB
Ki0.09 nMPMID9652348, PMID10598788, PMID9650799BindingDB
Ki0.1 nMPMID10598788, PMID9652348BindingDB
Ki0.1 nMPMID9650799BindingDB
Ki0.1995 nMPMID12773038ChEMBL
Ki0.2 nMPMID10433861, PMID9822540BindingDB,ChEMBL
Ki0.2 nMPMID9290757BindingDB
Ki0.23 nMPMID16220980ChEMBL
Ki1.3 nMPMID7988476BindingDB
pKD10.06 -PMID11448228ChEMBL

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