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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	473728-58-4
Molecular formula	C23H27N3O5
IUPAC name	3-[[3,4-dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	425.485
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.8
Synonyms	(r)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-n,n-dimethy A3803 CS-0833 SCH-563705 3-[[3-[(DIMETHYLAMINO)CARBONYL]-2-HYDROXYPHENYL]AMINO]-4-[[(R)-1-(4-ISOPROPYLFURAN-2-YL)PROPYL]AMINO]CYCLOBUT-3-ENE-1,2-DIONE AN-28220 HY-10011 TR-017493 NCGC00379077-01 (R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-N,N-dimethylbenzamide AKOS015856220 CTK4I9907 SCH563705 3-{[3,4-Dioxo-2-({(1R)-1-[4-(propan-2-yl)furan-2-yl]propyl}amino)cyclobut-1-en-1-yl]amino}-2-hydroxy-N,N-dimethylbenzamide AX8083299 KS-00001CKF W-5455 (R)-2-Hydroxy-3-((2-((1-(4-isopropylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)-N,N-dimethylbenzamide 728D584 CHEMBL246108 SCH 563705 2-hydroxy-3-[[2-[[(1R)-1-(4-isopropyl-2-furyl)propyl]amino]-3,4-dioxo-cyclobuten-1-yl]amino]-N,N-dimethyl-benzamide AKOS016009722 DTXSID90437927 SCHEMBL12086761 BDBM50211458 MolPort-019-904-701 ZINC100058396 [ Show all ]
Inchi Key	DGKQQEVYYPCMNE-OAHLLOKOSA-N
Inchi ID	InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
PubChem CID	10310100
ChEMBL	CHEMBL246108
IUPHAR	N/A
BindingDB	50211458
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
59339	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
59340	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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