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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	MLS002248991
Molecular formula	C22H17ClN4O8
IUPAC name	[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
Molecular weight	500.848
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.7
Synonyms	MCULE-5045219317 SMR001316446 BDBM67389 cid_2412928 [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester AC1M784E ZINC3297296 HMS3075A07 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester MolPort-005-882-716 AKOS007944186 CHEMBL1318653 [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate [ Show all ]
Inchi Key	CPRCSVAGZHXCAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17ClN4O8/c1-25-19(24)17(20(30)26(2)22(25)32)16(28)10-35-21(31)13-6-4-3-5-12(13)18(29)11-7-8-14(23)15(9-11)27(33)34/h3-9H,10,24H2,1-2H3
PubChem CID	2412928
ChEMBL	CHEMBL1318653
IUPHAR	N/A
BindingDB	67389
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
47624	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
47625	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
47623	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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