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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	MLS000053810
Molecular formula	C21H22N2O5
IUPAC name	4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Molecular weight	382.416
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.7
Synonyms	4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate SMR000068143 Z15516503 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate HMS2372K13 AKOS002442140 MLS002635158 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester CHEMBL1573112 SR-01000065034 ZINC3416774 851953-36-1 MCULE-1404447589 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate BDBM37026 MolPort-004-078-950 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 4-phthalimidobutyl ester cid_2535819 SR-01000065034-1 AC1M8EDP [ Show all ]
Inchi Key	ACXDWKIWTSDHPD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N2O5/c1-12-17(14(3)24)13(2)22-18(12)21(27)28-11-7-6-10-23-19(25)15-8-4-5-9-16(15)20(23)26/h4-5,8-9,22H,6-7,10-11H2,1-3H3
PubChem CID	2535819
ChEMBL	CHEMBL1573112
IUPHAR	N/A
BindingDB	37026
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
2017	Galanin receptor type 2	O43603	GALR2	Homo sapiens (Human)	387
2019	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
2016	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
2015	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
2018	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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