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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	CHEMBL245500
Molecular formula	C21H23N3O4S
IUPAC name	2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(3-methylthiophen-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular weight	413.492
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	SCHEMBL12262761 (R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(3-methylthiophen-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide BDBM50211460
Inchi Key	HKRHEFYVMVBQCG-CYBMUJFWSA-N
Inchi ID	InChI=1S/C21H23N3O4S/c1-5-13(20-11(2)9-10-29-20)22-15-16(19(27)18(15)26)23-14-8-6-7-12(17(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
PubChem CID	44440859
ChEMBL	CHEMBL245500
IUPHAR	N/A
BindingDB	50211460
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
117424	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
117425	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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