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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	CHEMBL2018386
Molecular formula	C28H38F3N5O4
IUPAC name	N-[2-[[(2S,3S)-1-[(2,4-dimethylphenyl)methylamino]-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(ethylcarbamoylamino)-5-(trifluoromethyl)benzamide
Molecular weight	565.638
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	3.8
Synonyms	BDBM50381177 SCHEMBL5126772
Inchi Key	WMOYUNWNZFLZJG-ZEQRLZLVSA-N
Inchi ID	InChI=1S/C28H38F3N5O4/c1-5-7-24(37)23(15-32-14-19-9-8-17(3)12-18(19)4)35-25(38)16-34-26(39)21-13-20(28(29,30)31)10-11-22(21)36-27(40)33-6-2/h8-13,23-24,32,37H,5-7,14-16H2,1-4H3,(H,34,39)(H,35,38)(H2,33,36,40)/t23-,24-/m0/s1
PubChem CID	10281316
ChEMBL	CHEMBL2018386
IUPHAR	N/A
BindingDB	50381177
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
377106	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
377107	C-C chemokine receptor type 2	P51683	Ccr2	Mus musculus (Mouse)	373
377105	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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