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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	CHEMBL3976863
Molecular formula	C29H32FN3O6S
IUPAC name	propan-2-yl (2S)-1-[2-fluoro-3-[[2-[[(5-methylfuran-2-yl)-(thiolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]pyrrolidine-2-carboxylate
Molecular weight	569.648
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.6
Synonyms	AFOYTVCGGOVKKI-YGWXTMFKSA-N isopropyl (S)-1-[2-fluoro-3-(2-{[(5-methylfuran-2-yl)-(tetrahydrothiophen-2-yl)methyl]amino}-3,4-dioxocyclobut-1-enylamino)benzoyl]pyrrolidine-2-carboxylate SCHEMBL14904766
Inchi Key	AFOYTVCGGOVKKI-YGWXTMFKSA-N
Inchi ID	InChI=1S/C29H32FN3O6S/c1-15(2)38-29(37)19-9-5-13-33(19)28(36)17-7-4-8-18(22(17)30)31-24-25(27(35)26(24)34)32-23(21-10-6-14-40-21)20-12-11-16(3)39-20/h4,7-8,11-12,15,19,21,23,31-32H,5-6,9-10,13-14H2,1-3H3/t19-,21?,23?/m0/s1
PubChem CID	71526065
ChEMBL	CHEMBL3976863
IUPHAR	N/A
BindingDB	236804
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
533925	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
533926	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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