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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	CHEMBL231829
Molecular formula	C25H26ClFN4O4
IUPAC name	3-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]-4-(methylamino)cyclobut-3-ene-1,2-dione
Molecular weight	500.955
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50210970 (R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione
Inchi Key	OWMGOMSSWLIZMB-OAHLLOKOSA-N
Inchi ID	InChI=1S/C25H26ClFN4O4/c1-15-12-30(13-16-3-6-18(27)7-4-16)9-10-31(15)21(32)14-35-20-8-5-17(26)11-19(20)29-23-22(28-2)24(33)25(23)34/h3-8,11,15,28-29H,9-10,12-14H2,1-2H3/t15-/m1/s1
PubChem CID	44430713
ChEMBL	CHEMBL231829
IUPHAR	N/A
BindingDB	50210970
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
251967	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
251968	C-C chemokine receptor type 1	P51675	Ccr1	Mus musculus (Mouse)	355

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