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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	2,6-Di-tert-butyl-4-nitrophenol
Molecular formula	C14H21NO3
IUPAC name	2,6-ditert-butyl-4-nitrophenol
Molecular weight	251.326
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	Bayer 28,589 CHEMBL224869 EBD2321976 MCULE-3794159716 NSC81682 Phenol,6-di-tert-butyl-4-nitro- WLN: 1X1&1&R BQ ENW CX1&1&1 10452-78-5 2,6-ditert-butyl-4-nitrophenol AC1O3Z57 AI3-25569 BBL001771 DA-41549 FT-0714407 NCGC00246556-01 Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (9CI) SCHEMBL3236587 2,6-di(tert-butyl)-4-nitrobenzenol 4-nitro-2,6-bis-(1,1-dimethylethyl)-phenol B-28589 CAS-728-40-5 DSSTox_RID_76210 KS-000000VG NSC 81682 Phenol,2,6-bis(1,1-dimethylethyl)-4-nitro- T8809 Bayer 28589 cid_69765 ENT 25,569 MLS000755910 Oprea1_462619 SBB100978 ZINC2513362 2,6-Bis(1,1-dimethylethyl)-4-nitrophenol 3,5-Di-t-butyl-4-hydroxy-nitrobenzene AC1Q1YM0 AK175953 BDBM95401 DSSTox_CID_1559 HMS2620M07 NCGC00255264-01 Phenol, 2,6-di-t-butyl-4-nitro- SMR000337938 2,6-di(tert-butyl)-4-Nitrobenzenol, AldrichCPR 728-40-5 BAY 28589 DTXSID4021559 LS-104326 NSC-81682 Phenol,6-bis(1,1-dimethylethyl)-4-nitro- Tox21_301750 1,3-DITERT.BUTYL,2-HYDROXY,5-NITRO-BENZENE 2,6-ditert-butyl-4-nitro-phenol AC1L2CM2 Bayer 4889 CTK5D6928 FCGKUUOTWLWJHE-UHFFFAOYSA-N MolPort-002-877-474 Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- SCHEMBL17411458 2,6-bis(tert-butyl)-4-nitrophenol 3,5-ditert-butyl-N-hydroxy-4-oxocyclohexa-2,5-dien-1-imine oxide AG-205/01424014 AKOS005100920 BRN 2056124 DSSTox_GSID_21559 InChI=1/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H NCIOpen2_004262 Phenol, 2,6-di-tert-butyl-4-nitro- STK331796 2,6-di-t-butyl-4-nitrophenol 7L-850 [ Show all ]
Inchi Key	FCGKUUOTWLWJHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
PubChem CID	69765
ChEMBL	CHEMBL224869
IUPHAR	N/A
BindingDB	95401
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	5623.4 nM	PubChem BioAssay data set	ChEMBL

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