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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

NameL-362855
Molecular formulaC57H70N10O8
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19-heptazacyclohexacosane-2,5,8,11,14,17,20-heptone
Molecular weight1023.25
Hydrogen bond acceptor9
Hydrogen bond donor11
XlogP5.7
SynonymsCyclo[L-Trp-D-Trp-L-Lys-L-Thr-L-Phe-(7-amino*heptanoyl-L-Phe-)]
BDBM82463
L-362,855
81710-71-6
CHEMBL3350179
Inchi KeyCDHQUESZSCDTRS-CXGHXKFRSA-N
Inchi IDInChI=1S/C57H70N10O8/c1-36(68)51-57(75)66-46(30-37-18-6-4-7-19-37)52(70)59-29-17-3-2-10-27-50(69)62-47(31-38-20-8-5-9-21-38)54(72)64-49(33-40-35-61-44-25-14-12-23-42(40)44)56(74)65-48(32-39-34-60-43-24-13-11-22-41(39)43)55(73)63-45(53(71)67-51)26-15-16-28-58/h4-9,11-14,18-25,34-36,45-49,51,60-61,68H,2-3,10,15-17,26-33,58H2,1H3,(H,59,70)(H,62,69)(H,63,73)(H,64,72)(H,65,74)(H,66,75)(H,67,71)/t36-,45+,46+,47+,48-,49+,51+/m1/s1
PubChem CID9876510
ChEMBLN/A
IUPHARN/A
BindingDB82463
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.79 nMPMID8769372BindingDB
Ki1.62 nMPMID9650799, PMID10598788, PMID9652348BindingDB
Ki2.04 nMPMID10598788, PMID9652348BindingDB
Ki4.36 nMPMID10598788, PMID9652348BindingDB
Ki4.37 nMPMID9650799BindingDB

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