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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Somatostatin receptor type 2
Species	Homo sapiens (Human)
Gene	SSTR2
Synonym	somatotropin release-inhibiting factor receptor SRIF-1 SS-2-R SS2-R SS2R SST2 receptor [ Show all ]
Disease	Acromegaly Lung cancer Neuroendocrine cancer
Length	369
Amino acid sequence	MDMADEPLNGSHTWLSIPFDLNGSVVSTNTSNQTEPYYDLTSNAVLTFIYFVVCIIGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYTFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSMAISPTPALKGMFDFVVVLTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGTDDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProt	P30874
Protein Data Bank	N/A
GPCR-HGmod model	P30874
3D structure model	This predicted structure model is from GPCR-EXP P30874.
BioLiP	N/A
Therapeutic Target Database	T53024
ChEMBL	CHEMBL1804
IUPHAR	356
DrugBank	BE0003528

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	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 cyclo[Pro(1)-Phe(2)-D-Trp(3)-Lys(4)-Thr(5)-Phe(6)] [ 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	0.76 nM	PMID9667958	BindingDB,ChEMBL
Ki	0.53 nM	PMID9652348	BindingDB
Ki	0.63 nM	PMID8769372	BindingDB
Ki	0.631 nM	PMID12773038	ChEMBL
Ki	3.38 nM	PMID10598788	BindingDB
Ki	3.39 nM	PMID9650799	BindingDB
Ki	4.07 nM	PMID9652348, PMID10598788, PMID9650799	BindingDB
Ki	4.78 nM	PMID9652348	BindingDB
Ki	5.1 nM	PMID9667958	BindingDB,ChEMBL
Ki	5.24 nM	PMID10598788, PMID9652348	BindingDB

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