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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS001003365
Molecular formula	C20H22N2O7S
IUPAC name	[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methylsulfonyl-3-nitrobenzoate
Molecular weight	434.463
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM71095 SMR000344844 cid_3350604 Z16345757 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester AC1MNCGY [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methylsulfonyl-3-nitrobenzoate SR-01000057638 HMS2708E20 [(4-phenylbutan-2-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate AKOS033487567 MolPort-004-277-162 CHEMBL1464832 SR-01000057638-1 4-mesyl-3-nitro-benzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester 781621-37-2 MCULE-5546596487 [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 4-methylsulfonyl-3-nitro-benzoate [ Show all ]
Inchi Key	CATKSXIRUDFSIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O7S/c1-14(8-9-15-6-4-3-5-7-15)21-19(23)13-29-20(24)16-10-11-18(30(2,27)28)17(12-16)22(25)26/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,21,23)
PubChem CID	3350604
ChEMBL	CHEMBL1464832
IUPHAR	N/A
BindingDB	71095
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
37511	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
37512	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
467559	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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