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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	CHEMBL1305842
Molecular formula	C20H21ClN2O3
IUPAC name	1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
Molecular weight	372.849
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.9
Synonyms	HMS2331B03 ZINC779562 AC1LLRD1 MLS002540233 1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenylethanone BAS 04057128 SMR000070468 2-(4-chlorophenoxy)-1-[4-(phenylacetyl)piperazin-1-yl]ethanone MCULE-9771349745 1-[(4-chlorophenoxy)acetyl]-4-(phenylacetyl)piperazine AKOS000550821 MolPort-001-623-749 1-{4-[2-(4-Chloro-phenoxy)-acetyl]-piperazin-1-yl}-2-phenyl-ethanone BDBM50011718 EU-0046770 STK146408 MLS000099053 1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-phenyl-ethanone AT-057/43316466 Oprea1_016284 2-(4-chlorophenoxy)-1-[4-(2-phenylacetyl)tetrahydro-1-pyrazinyl]-1-ethanone [ Show all ]
Inchi Key	XUWONGFKJGXWMM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN2O3/c21-17-6-8-18(9-7-17)26-15-20(25)23-12-10-22(11-13-23)19(24)14-16-4-2-1-3-5-16/h1-9H,10-15H2
PubChem CID	1072066
ChEMBL	CHEMBL1305842
IUPHAR	N/A
BindingDB	50011718
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	501.2 nM	PubChem BioAssay data set	ChEMBL

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