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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	CHEMBL2088381
Molecular formula	C30H39F3N4O3S
IUPAC name	N-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-[(4-propylphenyl)sulfonylmethyl]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
Molecular weight	592.722
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	6.0
Synonyms	ALAOJFCEUYZLEH-FBLLAGFSSA-N (1S,2R,4R)-N-[4-(isopropyl-methyl-amino)-2-(4-propyl-benzenesulfonylmethyl)-cyclohexyl]-2-(4-trifluoromethyl-1H-benzoimidazol-2-yl)-acetamide BDBM50391016 SCHEMBL3424755
Inchi Key	ALAOJFCEUYZLEH-FBLLAGFSSA-N
Inchi ID	InChI=1S/C30H39F3N4O3S/c1-5-7-20-10-13-23(14-11-20)41(39,40)18-21-16-22(37(4)19(2)3)12-15-25(21)35-28(38)17-27-34-26-9-6-8-24(29(26)36-27)30(31,32)33/h6,8-11,13-14,19,21-22,25H,5,7,12,15-18H2,1-4H3,(H,34,36)(H,35,38)/t21-,22+,25-/m0/s1
PubChem CID	11342351
ChEMBL	CHEMBL2088381
IUPHAR	N/A
BindingDB	50391016
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
8080	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
8079	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355

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