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GPCR

NameSomatostatin receptor type 5
SpeciesHomo sapiens (Human)
GeneSSTR5
SynonymSOMATO
SS-5-R
SS5-R
SS5R
SST5 receptor
DiseaseN/A
Length364
Amino acid sequenceMEPLFPASTPSWNASSPGAASGGGDNRTLVGPAPSAGARAVLVPVLYLLVCAAGLGGNTLVIYVVLRFAKMKTVTNIYILNLAVADVLYMLGLPFLATQNAASFWPFGPVLCRLVMTLDGVNQFTSVFCLTVMSVDRYLAVVHPLSSARWRRPRVAKLASAAAWVLSLCMSLPLLVFADVQEGGTCNASWPEPVGLWGAVFIIYTAVLGFFAPLLVICLCYLLIVVKVRAAGVRVGCVRRRSERKVTRMVLVVVLVFAGCWLPFFTVNIVNLAVALPQEPASAGLYFFVVILSYANSCANPVLYGFLSDNFRQSFQKVLCLRKGSGAKDADATEPRPDRIRQQQEATPPAHRAAANGLMQTSKL
UniProtP35346
Protein Data BankN/A
GPCR-HGmod modelP35346
3D structure modelThis predicted structure model is from GPCR-EXP P35346.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1792
IUPHAR359
DrugBankBE0002147

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
SynonymsUNII-F6R2N217HS
6E20216Q0L
C76H104N18O19S2
D0T5RO
HS-2027
[ 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
EC500.065 nMPMID11266182ChEMBL
EC500.19 nMPMID15982879ChEMBL
EC500.19 nMPMID15982879BindingDB
EC5065.0 nMPMID11266182BindingDB
IC500.2 nMPMID16220980ChEMBL
IC504.2 nMPMID21806016, PMID24378707BindingDB,ChEMBL
IC5010.0 nMPMID15658865ChEMBL
Ki0.12 nMPMID11520208ChEMBL
Ki0.13 nMPMID10598788, PMID9652348BindingDB
Ki0.14 nMPMID11327607BindingDB
Ki0.14 nMPMID11327607ChEMBL
Ki0.15 nMPMID10598788, PMID15982879, PMID9652348BindingDB,ChEMBL
Ki0.2 nMPMID10433861BindingDB
Ki0.23 nMPMID24342240ChEMBL
Ki0.26 nMPMID15982879ChEMBL
Ki0.26 nMPMID15982879BindingDB
Ki0.29 nMPMID10598788, PMID9652348BindingDB
Ki0.3 nMPMID9650799BindingDB
Ki0.32 nMPMID10818260BindingDB
Ki0.3981 nMPMID12773038ChEMBL
Ki0.4 nMPMID9290757BindingDB
Ki0.44 nMPMID15982879ChEMBL
Ki0.44 nMPMID15982879BindingDB
Ki0.71 nMPMID15982879ChEMBL
Ki0.9 nMPMID7988476BindingDB
Ki0.97 nMPMID10598788BindingDB
Ki0.98 nMPMID9650799BindingDB
Ki1.2 nMPMID8102785BindingDB
Ki1.4 nMPMID16220980ChEMBL
Ki1.41 nMPMID9600011BindingDB
Ki>2.0 nMMedChemComm, (2014) 5:8:1150ChEMBL
Ki2.32 nMPMID9724791, PMID12477342BindingDB,ChEMBL
Ki120.0 nMPMID11266182BindingDB,ChEMBL
pKD9.01 -PMID11448228ChEMBL

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