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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	106674-03-7
Molecular formula	C27H20N2O8S
IUPAC name	8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
Molecular weight	532.523
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.9
Synonyms	Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate NCI60_028455 AC1Q6U2R CHEMBL1700880 NSC679525 Benzo[1,2-b:4,3-b']dipyrrole-1,7-dicarboxylicacid, 3,4,5,6-tetrahydro-6-[(4-methylphenyl)sulfonyl]-4,5-dioxo-, 7-methyl1-(phenylmethyl) ester DTXSID60147723 SMR001565879 4,5-diketo-3-tosyl-6H-pyrrol[3,2-e]indole-2,8-dicarboxylic acid O8-benzyl ester O2-methyl ester Benzyl 7-(Methoxycarbonyl)-3,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate NSC 679525 A801509 ACMC-20byhi cid_386817 O2-methyl O8-(phenylmethyl) 3-(4-methylphenyl)sulfonyl-4,5-bis(oxidanylidene)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate MLS002702317 ZINC1647564 8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate NSC-679525 AC1L8SHN BDBM81250 CTK4A4704 O8-benzyl O2-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylic acid O2-methyl ester O8-(phenylmethyl) ester [ Show all ]
Inchi Key	AVADCSIAVBNFKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3
PubChem CID	386817
ChEMBL	CHEMBL1700880
IUPHAR	N/A
BindingDB	81250
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Potency	3981.1 nM	PubChem BioAssay data set	ChEMBL

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