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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	SMR000044012
Molecular formula	C23H31N5O2
IUPAC name	2-ethylbutyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
Molecular weight	409.534
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.7
Synonyms	2-ethylbutyl 2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate F3225-4781 NCGC00165164-01 STK920545 AB00398773-11 MLS000040685 NCGC00070502-02 2-ethylbutyl cyano[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate HMS2457P11 SCHEMBL20523803 VU0604849-1 AC1LD91H MLS002583066 2-ethylbutyl 2-cyano-2-(3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl)acetate CHEMBL1580655 NCGC00070502-03 578733-78-5 MCULE-5845261764 AKOS005645368 MolPort-000-637-478 [ Show all ]
Inchi Key	ACIVIROIWGZWTE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H31N5O2/c1-4-17(5-2)16-30-23(29)18(15-24)21-22(28-13-11-27(6-3)12-14-28)26-20-10-8-7-9-19(20)25-21/h7-10,17-18H,4-6,11-14,16H2,1-3H3
PubChem CID	663230
ChEMBL	CHEMBL1580655
IUPHAR	N/A
BindingDB	N/A
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
1613	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1615	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
1614	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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