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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	MLS000768883
Molecular formula	C16H13BrN2O7
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
Molecular weight	425.191
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.1
Synonyms	2-(4-methyl-3-nitrophenyl)-2-oxoethyl N-[(5-bromofuran-2-yl)carbonyl]glycinate AKOS003647713 MolPort-000-806-503 2-{3-nitro-4-methylphenyl}-2-oxoethyl [(5-bromo-2-furoyl)amino]acetate CHEMBL1550499 ZINC2078501 AC1LWTZ8 MCULE-3894392241 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate 2-[(5-bromo-2-furoyl)amino]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester BDBM67294 SMR000432180 352671-44-4 cid_1738511 [(5-Bromo-furan-2-carbonyl)-amino]-acetic acid 2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl ester AK-918/12272005 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester STK727859 HMS2782P19 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoate [ Show all ]
Inchi Key	CXUDFPOCGAJDDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H13BrN2O7/c1-9-2-3-10(6-11(9)19(23)24)12(20)8-25-15(21)7-18-16(22)13-4-5-14(17)26-13/h2-6H,7-8H2,1H3,(H,18,22)
PubChem CID	1738511
ChEMBL	CHEMBL1550499
IUPHAR	N/A
BindingDB	67294
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
53154	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
53155	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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