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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 1
Species	Homo sapiens (Human)
Gene	SSTR1
Synonym	SRIF-2 SS-1-R SS1-R SS1R SST1 receptor
Disease	Alzheimer disease Cushing's disease Neuroendocrine cancer
Length	391
Amino acid sequence	MFPNGTASSPSSSPSPSPGSCGEGGGSRGPGAGAADGMEEPGRNASQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCTSRITTL
UniProt	P30872
Protein Data Bank	N/A
GPCR-HGmod model	P30872
3D structure model	This predicted structure model is from GPCR-EXP P30872.
BioLiP	N/A
Therapeutic Target Database	T16633
ChEMBL	CHEMBL1917
IUPHAR	355
DrugBank	BE0000452

Ligand

Name	MK-4256
Molecular formula	C27H23FN8O
IUPAC name	3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
Molecular weight	494.534
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.1
Synonyms	GTPL10114 CHEMBL2204935 HY-13466 BDBM50400517 MK4256 CS-7919 3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole MK 4256 [ Show all ]
Inchi Key	NTIFDLOQPKMIJK-AJTFRIOCSA-N
Inchi ID	InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1
PubChem CID	56927659
ChEMBL	CHEMBL2204935
IUPHAR	N/A
BindingDB	50400517
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2362.0 nM	PMID24900499	BindingDB,ChEMBL

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