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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Somatostatin receptor type 5
Species	Homo sapiens (Human)
Gene	SSTR5
Synonym	SOMATO SS-5-R SS5-R SS5R SST5 receptor
Disease	N/A
Length	364
Amino acid sequence	MEPLFPASTPSWNASSPGAASGGGDNRTLVGPAPSAGARAVLVPVLYLLVCAAGLGGNTLVIYVVLRFAKMKTVTNIYILNLAVADVLYMLGLPFLATQNAASFWPFGPVLCRLVMTLDGVNQFTSVFCLTVMSVDRYLAVVHPLSSARWRRPRVAKLASAAAWVLSLCMSLPLLVFADVQEGGTCNASWPEPVGLWGAVFIIYTAVLGFFAPLLVICLCYLLIVVKVRAAGVRVGCVRRRSERKVTRMVLVVVLVFAGCWLPFFTVNIVNLAVALPQEPASAGLYFFVVILSYANSCANPVLYGFLSDNFRQSFQKVLCLRKGSGAKDADATEPRPDRIRQQQEATPPAHRAAANGLMQTSKL
UniProt	P35346
Protein Data Bank	N/A
GPCR-HGmod model	P35346
3D structure model	This predicted structure model is from GPCR-EXP P35346.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1792
IUPHAR	359
DrugBank	BE0002147

Ligand

Name	CHEMBL421362
Molecular formula	C44H54N8O7
IUPAC name	(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,15-dibenzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight	806.965
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	3.4
Synonyms	cyclo[Pro(1)-Phe(2)-D-Trp(3)-Lys(4)-Thr(5)-Phe(6)] BDBM50065453 L-363301 cyclo(Pro-Phe-D-Trp-Lys-Thr-Phe) (5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-dibenzyl-8-((R)-1-hydroxy-ethyl)-14-(1H-indol-3-ylmethyl)-tetradecahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecene-4,7,10,13,16,19-hexaone L-361,301 cyclo-(Pro-Phe-D-Trp-Lys-Thr-Phe) L-363,301 [ Show all ]
Inchi Key	FHSGULRVYLHXFO-FFNFELIASA-N
Inchi ID	InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
PubChem CID	9918828
ChEMBL	CHEMBL421362
IUPHAR	N/A
BindingDB	50065453
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	7.6 nM	PMID9667958	BindingDB,ChEMBL
Ki	0.3 nM	PMID10598788, PMID9652348	BindingDB
Ki	1.69 nM	PMID10598788, PMID9652348	BindingDB
Ki	20.41 nM	PMID10598788, PMID9652348	BindingDB
Ki	20.42 nM	PMID9650799	BindingDB
Ki	25.0 nM	PMID9667958	BindingDB,ChEMBL
Ki	39.81 nM	PMID12773038, PMID8769372	BindingDB,ChEMBL
Ki	67.6 nM	PMID10598788	BindingDB
Ki	67.61 nM	PMID9650799	BindingDB
Ki	1000.0 nM	PMID8102785	BindingDB

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