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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	MLS002245453
Molecular formula	C23H26N2O8
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
Molecular weight	458.467
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.0
Synonyms	MCULE-5915526300 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (2S)-2-[(3,5-dimethoxyphenyl)formamido]-3-methylbutanoate SMR001309105 AKOS034828774 CHEMBL1552207 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester BDBM67395 Z90120278 cid_16248297 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester MolPort-005-837-267 957017-96-8 ZINC13134209 [ Show all ]
Inchi Key	BDEYGGYVEKTISM-NRFANRHFSA-N
Inchi ID	InChI=1S/C23H26N2O8/c1-13(2)21(24-22(27)16-8-17(31-4)11-18(9-16)32-5)23(28)33-12-20(26)15-7-6-14(3)19(10-15)25(29)30/h6-11,13,21H,12H2,1-5H3,(H,24,27)/t21-/m0/s1
PubChem CID	16248297
ChEMBL	CHEMBL1552207
IUPHAR	N/A
BindingDB	67395
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
20872	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
20871	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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