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GLASS

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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	MLS000085820
Molecular formula	C15H15N5S
IUPAC name	2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile
Molecular weight	297.38
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	2-amino-6-(cyanomethylthio)-4-cyclohexyl-dinicotinonitrile AKOS005524271 2-amino-6-[(cyanomethyl)thio]-4-cyclohexylpyridine-3,5-dicarbonitrile CHEMBL1523520 SR-01000529311-1 A2241/0094343 HMS2280A21 ZINC19831054 2-amino-6-(cyanomethylthio)-4-cyclohexylpyridine-3,5-dicarbonitrile BDBM83738 SMR000020949 2-azanyl-6-(cyanomethylsulfanyl)-4-cyclohexyl-pyridine-3,5-dicarbonitrile cid_3237836 SR-01000529311-3 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile AC1MMF99 MCULE-6303549904 2-amino-6-[(cyanomethyl)sulfanyl]-4-cyclohexylpyridine-3,5-dicarbonitrile SR-01000529311 EU-0052420 STK661503 [ Show all ]
Inchi Key	FZLVVKJYXRJMRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15N5S/c16-6-7-21-15-12(9-18)13(10-4-2-1-3-5-10)11(8-17)14(19)20-15/h10H,1-5,7H2,(H2,19,20)
PubChem CID	3237836
ChEMBL	CHEMBL1523520
IUPHAR	N/A
BindingDB	83738
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	891.3 nM	PubChem BioAssay data set	ChEMBL
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL

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