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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	MLS000923770
Molecular formula	C20H18N2O7
IUPAC name	[2-(3-nitrophenyl)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
Molecular weight	398.371
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	2-(3-nitrophenyl)-2-oxoethyl 4-[(4-acetylphenyl)amino]-4-oxobutanoate BDBM67360 SMR000620118 ST51057501 4-(4-acetylanilino)-4-oxobutanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester cid_1726742 [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate AK-918/11667359 2-{3-nitrophenyl}-2-oxoethyl 4-(4-acetylanilino)-4-oxobutanoate SR-01000494100 STK247462 HMS2905N17 [2-(3-nitrophenyl)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate 2-(3-nitrophenyl)-2-oxoethyl 3-[N-(4-acetylphenyl)carbamoyl]propanoate AKOS001678566 MolPort-001-023-383 4-(4-acetylanilino)-4-keto-butyric acid [2-keto-2-(3-nitrophenyl)ethyl] ester CHEMBL1419495 SR-01000494100-1 ZINC2062992 AC1LWEPT MCULE-7447393282 [ Show all ]
Inchi Key	ANHINKLKQXLBEG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N2O7/c1-13(23)14-5-7-16(8-6-14)21-19(25)9-10-20(26)29-12-18(24)15-3-2-4-17(11-15)22(27)28/h2-8,11H,9-10,12H2,1H3,(H,21,25)
PubChem CID	1726742
ChEMBL	CHEMBL1419495
IUPHAR	N/A
BindingDB	67360
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
9568	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
9567	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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