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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 2
Species	Rattus norvegicus (Rat)
Gene	Sstr2
Synonym	somatotropin release-inhibiting factor receptor SRIF-1 SS-2-R SS2-R SS2R SST2 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	369
Amino acid sequence	MELTSEQFNGSQVWIPSPFDLNGSLGPSNGSNQTEPYYDMTSNAVLTFIYFVVCVVGLCGNTLVIYVILRYAKMKTITNIYILNLAIADELFMLGLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAVVHPIKSAKWRRPRTAKMINVAVWGVSLLVILPIMIYAGLRSNQWGRSSCTINWPGESGAWYTGFIIYAFILGFLVPLTIICLCYLFIIIKVKSSGIRVGSSKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSVAISPTPALKGMFDFVVILTYANSCANPILYAFLSDNFKKSFQNVLCLVKVSGAEDGERSDSKQDKSRLNETTETQRTLLNGDLQTSI
UniProt	P30680
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2978
IUPHAR	356
DrugBank	N/A

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
Activity	294.0 %	PMID24900340	ChEMBL
Ki	0.501187 nM	PMID9600011	IUPHAR

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