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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	CHEMBL404918
Molecular formula	C23H23F2N3O4
IUPAC name	3-[[2-[[(1R)-1-(3,5-difluorophenyl)-2-methylpropyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	443.451
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	4.2
Synonyms	(R)-3-(2-(1-(3,5-difluorophenyl)-2-methylpropylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide BDBM50236064
Inchi Key	BQMOKZAFKQYYAS-QGZVFWFLSA-N
Inchi ID	InChI=1S/C23H23F2N3O4/c1-11(2)17(12-8-13(24)10-14(25)9-12)27-19-18(21(30)22(19)31)26-16-7-5-6-15(20(16)29)23(32)28(3)4/h5-11,17,26-27,29H,1-4H3/t17-/m1/s1
PubChem CID	44447960
ChEMBL	CHEMBL404918
IUPHAR	N/A
BindingDB	50236064
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
30458	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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