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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	SMR000091904
Molecular formula	C11H16N2O2S
IUPAC name	2-butylsulfanyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one
Molecular weight	240.321
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	CHEMBL1624600 STL446402 2-butylsulfanyl-6-oxidanyl-1-prop-2-enyl-pyrimidin-4-one AKOS001695199 MCULE-1813375053 1-allyl-2-(butylthio)-6-hydroxy-4(1H)-pyrimidinone MolPort-004-971-205 2-(butylthio)-6-hydroxy-1-prop-2-enyl-4-pyrimidinone cid_1618319 ZINC59094912 BDBM37787 MLS000114539 1-allyl-2-(butylthio)-6-hydroxy-pyrimidin-4-one CHEMBL1334790 2-butylsulfanyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one AC1LUV3U HMS2252F14 ZINC8584059 CCG-115384 MolPort-002-212-513 2-(butylsulfanyl)-6-hydroxy-3-(prop-2-en-1-yl)pyrimidin-4(3H)-one [ Show all ]
Inchi Key	BXPFOURZBFIMBA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N2O2S/c1-3-5-7-16-11-12-9(14)8-10(15)13(11)6-4-2/h4,8,14H,2-3,5-7H2,1H3
PubChem CID	135406754
ChEMBL	CHEMBL1334790
IUPHAR	N/A
BindingDB	37787
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	5623.4 nM	PubChem BioAssay data set	ChEMBL

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