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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	SMR000019649
Molecular formula	C25H29N3O4S
IUPAC name	ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate
Molecular weight	467.584
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AC1MMWBN ethyl 1-[[2-(2-furoylamino)-4,5-dimethylthien-3-yl](pyridin-3-yl)methyl]piperidine-4-carboxylate MLS000085109 BDBM31031 ethyl 1-[{2-[(furan-2-ylcarbonyl)amino]-4,5-dimethylthiophen-3-yl}(pyridin-3-yl)methyl]piperidine-4-carboxylate MolPort-000-226-593 cid_3245442 HMS2427I04 STL487521 AKOS000808919 ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate MLS000085109-02 1-[[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]-(3-pyridyl)methyl]isonipecotic acid ethyl ester ethyl 1-{[2-(2-furylcarbonylamino)-4,5-dimethyl(3-thienyl)]-3-pyridylmethyl}pi peridine-4-carboxylate 618404-65-2 ethyl 1-((2-(furan-2-carboxamido)-4,5-dimethylthiophen-3-yl)(pyridin-3-yl)methyl)piperidine-4-carboxylate MCULE-3983104503 AKOS016074485 ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]-pyridin-3-yl-methyl]piperidine-4-carboxylate MLS002585297 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenyl]-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester CHEMBL1477013 F1396-0115 ST50073017 [ Show all ]
Inchi Key	FYETUTFFCYTDPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)
PubChem CID	3245442
ChEMBL	CHEMBL1477013
IUPHAR	N/A
BindingDB	31031
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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