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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	SMR000207040
Molecular formula	C21H19ClN2O3S
IUPAC name	3-acetamido-4-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylbenzamide
Molecular weight	414.904
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	3-acetamido-4-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylbenzamide cid_3256087 AC1MM6F5 MLS000584454 3-(acetylamino)-4-[(4-chlorophenyl)thio]-N-(2-furylmethyl)-N-methylbenzamide 3-acetamido-4-[(4-chlorophenyl)thio]-N-(2-furanylmethyl)-N-methylbenzamide HMS2582O11 AKOS002127159 3-acetamido-4-(4-chlorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methyl-benzamide CHEMBL1350732 3-acetamido-4-[(4-chlorophenyl)thio]-N-(2-furfuryl)-N-methyl-benzamide MCULE-7735962876 BDBM74843 ZINC3587454 [ Show all ]
Inchi Key	ACLHHSXTBPKXHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19ClN2O3S/c1-14(25)23-19-12-15(21(26)24(2)13-17-4-3-11-27-17)5-10-20(19)28-18-8-6-16(22)7-9-18/h3-12H,13H2,1-2H3,(H,23,25)
PubChem CID	3256087
ChEMBL	CHEMBL1350732
IUPHAR	N/A
BindingDB	N/A
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	28183.8 nM	PubChem BioAssay data set	ChEMBL

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