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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	SMR000060129
Molecular formula	C19H20N2O5
IUPAC name	ethyl 5-[5-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate
Molecular weight	356.378
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.8
Synonyms	5-[(3Z)-3-(4-hydroxy-6-oxo-3-propyl-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-2-furancarboxylic acid ethyl ester CHEMBL1541596 MLS000055604 Oprea1_690537 AC1OA5YE ethyl 5-[(3Z)-3-(4-oxidanyl-6-oxidanylidene-3-propyl-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate ZINC13126196 BDBM61793 HMS1768L06 cid_5428930 MLS002637231 SCHEMBL14396168 AC1Q2USO ethyl 5-[3-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate 5-[(3Z)-3-(4-hydroxy-6-keto-3-propyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]furan-2-carboxylic acid ethyl ester HMS2488F16 AC1NTFTA ethyl 5-[(3Z)-3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate Oprea1_317137 AKOS001036615 ethyl 5-[3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate [ Show all ]
Inchi Key	HKTSJOVFAVYHKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O5/c1-3-5-11-8-12(15(23)9-14(11)22)18-13(10-20-21-18)16-6-7-17(26-16)19(24)25-4-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
PubChem CID	984148
ChEMBL	CHEMBL1541596
IUPHAR	N/A
BindingDB	61793
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	22387.2 nM	PubChem BioAssay data set	ChEMBL

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