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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	seglitide
Molecular formula	C44H56N8O7
IUPAC name	(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight	808.981
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	3.9
Synonyms	GTPL2051 SCHEMBL151244 ZINC85537084 81377-02-8 CHEMBL311695 Cyclo(D-Trp-Lys-Val-Phe-N-Me-Ala-Tyr) MK 678 Seglitide < Rec INN > (3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-3-(phenylmethyl)-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone AKOS024456805 D09JXL NPJIOCBFOAHEDO-AVWFULIKSA-N SR-01000076118-2 CCG-205181 L-363586 Seglitida (3S,6S,9S,12R,15S,18S)-12-((1H-indol-3-yl)methyl)-9-(4-aminobutyl)-3-benzyl-15-(4-hydroxybenzyl)-6-isopropyl-1,18-dimethyl-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexaone 99248-33-6 (monoacetate) Cyclic (N-Me-Ala-Tyr-D-Trp-Lys-Val-Phe) cyclo(N-Me-Ala-Tyr-D-Trp-Lys-Val-Phe) MK-678 Seglitidum (3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone BDBM50051568 EU-0101105 S 1316 UNII-5P57R7IR6J 5P57R7IR6J Cyclic(N-methyl-Ala-Tyr-D-Trp-Lys-Val-Phe) Lopac0_001105 (3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-15-(4-hydroxy-benzyl)-12-(1H-indol-3-ylmethyl)-6-isopropyl-1,18-dimethyl-1,4,7,10,13,16hexaaza-cyclooctadecane-2,5,8,11,14,17-hexaone AC1NSKMC cyclo-(N-Me-Ala-Tyr-D-Trp-Lys-Val-Phe) MK678 SR-01000076118 C-23539 [ Show all ]
Inchi Key	NPJIOCBFOAHEDO-AVWFULIKSA-N
Inchi ID	InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1
PubChem CID	5311430
ChEMBL	CHEMBL311695
IUPHAR	2051
BindingDB	50051568
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
IC50	1.6 nM	PMID24900340	BindingDB,ChEMBL
Ki	0.02 nM	PMID9652348	BindingDB
Ki	0.0501187 - 1.58489 nM	PMID8769372, PMID9650799, PMID10598788, PMID7988476, PMID9724791, PMID9652348	IUPHAR
Ki	0.07943 nM	PMID12773038	ChEMBL
Ki	0.08 nM	PMID9652348	BindingDB
Ki	0.1 nM	PMID10598788, PMID9652348, PMID10433861	BindingDB
Ki	0.11 nM	PMID9650799	BindingDB
Ki	0.15 nM	PMID10598788, PMID9652348	BindingDB
Ki	0.23 nM	PMID10598788	BindingDB
Ki	0.24 nM	PMID9650799	BindingDB
Ki	0.3 nM	PMID9822540	ChEMBL

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