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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	CHEMBL401512
Molecular formula	C22H22FN3O4
IUPAC name	3-[[2-[[(1R)-1-(3-fluorophenyl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular weight	411.433
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	BDBM50200885 SCHEMBL12260490 (R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide
Inchi Key	DRBFDAYBUUMUHY-OAHLLOKOSA-N
Inchi ID	InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
PubChem CID	10201676
ChEMBL	CHEMBL401512
IUPHAR	N/A
BindingDB	50200885
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
66795	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
66796	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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