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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	Glucagon-like peptide 1 receptor
Species	Homo sapiens (Human)
Gene	GLP1R
Synonym	glucagon-like peptide 1 receptor GLP-1R GLP-1-R GLP-1 receptor
Disease	Type 1/2 diabetes Type 1 diabetes Obesity Non-insulin dependent diabetes Non-alcoholic steatohepatitis Irritable bowel syndrome; Dyspepsia Unspecified Diabetes Brain injury Type 2 diabetes [ Show all ]
Length	463
Amino acid sequence	MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS
UniProt	P43220
Protein Data Bank	5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv
GPCR-HGmod model	P43220
3D structure model	This structure is from PDB ID 5vex.
BioLiP	BL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966
Therapeutic Target Database	T36075
ChEMBL	CHEMBL1784
IUPHAR	249
DrugBank	BE0000857

Ligand

Name	MLS000103088
Molecular formula	C17H20N2OS
IUPAC name	6-butylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Molecular weight	300.42
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.2
Synonyms	CHEMBL1570968 SR-01000110643 6-butylsulfanyl-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile MCULE-5880211262 STK849440 2-(butylthio)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile AKOS001059233 BDBM37490 MolPort-002-351-923 6-(butylthio)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-5-carbonitrile cid_3772589 SR-01000110643-1 2-(butylsulfanyl)-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile 6-butylsulfanyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Z56910212 AKOS005629641 SMR000015788 6-(butylthio)-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile HMS2251K09 STK826229 2-(butylsulfanyl)-6-hydroxy-4-(2-methylphenyl)-4,5-dihydropyridine-3-carbonitrile AC1MXWOW AKOS016880672 MolPort-000-793-629 488827-24-3 [ Show all ]
Inchi Key	AAFJMTJWSYZCLD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2OS/c1-3-4-9-21-17-15(11-18)14(10-16(20)19-17)13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,19,20)
PubChem CID	3772589
ChEMBL	CHEMBL1570968
IUPHAR	N/A
BindingDB	37490
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	28183.8 nM	PubChem BioAssay data set	ChEMBL

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