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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	CHEMBL387608
Molecular formula	C30H36ClFN6O4
IUPAC name	3-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]-4-(2-piperazin-1-ylethylamino)cyclobut-3-ene-1,2-dione
Molecular weight	599.104
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	2.9
Synonyms	(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(2-(piperazin-1-yl)ethylamino)cyclobut-3-ene-1,2-dione BDBM50210971
Inchi Key	NJIUIOIOXNZKIA-HXUWFJFHSA-N
Inchi ID	InChI=1S/C30H36ClFN6O4/c1-20-17-37(18-21-2-5-23(32)6-3-21)14-15-38(20)26(39)19-42-25-7-4-22(31)16-24(25)35-28-27(29(40)30(28)41)34-10-13-36-11-8-33-9-12-36/h2-7,16,20,33-35H,8-15,17-19H2,1H3/t20-/m1/s1
PubChem CID	44430753
ChEMBL	CHEMBL387608
IUPHAR	N/A
BindingDB	50210971
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
224800	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
224801	C-C chemokine receptor type 1	P51675	Ccr1	Mus musculus (Mouse)	355

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