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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	MLS001110591
Molecular formula	C28H26N6O2
IUPAC name	5-benzyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one
Molecular weight	478.556
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.3
Synonyms	MCULE-1487275449 AKOS001880347 REGID_for_CID_20891930 CHEMBL1360418 CCG-140912 SMR000624988 HMS2240A10 5-benzyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one MolPort-007-679-011 ZINC8933016 [ Show all ]
Inchi Key	ABNNLXMSILQDQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H26N6O2/c35-26(32-16-14-31(15-17-32)25-12-6-7-13-29-25)20-34-28(36)27-23(18-30-34)22-10-4-5-11-24(22)33(27)19-21-8-2-1-3-9-21/h1-13,18H,14-17,19-20H2
PubChem CID	20891930
ChEMBL	CHEMBL1360418
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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