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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	CHEMBL118196
Molecular formula	C34H44N2O4S
IUPAC name	benzyl N-[1-[5-(benzenesulfonyl)-3-methyl-3-phenylhexyl]piperidin-4-yl]-N-ethylcarbamate
Molecular weight	576.796
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	7.0
Synonyms	BDBM50148684 [1-(5-Benzenesulfonyl-3-methyl-3-phenyl-hexyl)-piperidin-4-yl]-ethyl-carbamic acid, benzyl ester benzyl N-[1-[5-(benzenesulfonyl)-3-methyl-3-phenylhexyl]piperidin-4-yl]-N-ethylcarbamate CTK6E7038 benzyl ethyl{1-[3-methyl-3-phenyl-5-(phenylsulfonyl)hexyl]piperidin-4-yl}carbamate AC1LA896 [1-(5-Benzenesulfonyl-3-methyl-3-phenyl-hexyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester benzyl N-[1-[5-(benzenesulfonyl)-3-methyl-3-phenyl-hexyl]-4-piperidyl]-N-ethyl-carbamate [ Show all ]
Inchi Key	AYVFJDPITYUMTH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H44N2O4S/c1-4-36(33(37)40-27-29-14-8-5-9-15-29)31-20-23-35(24-21-31)25-22-34(3,30-16-10-6-11-17-30)26-28(2)41(38,39)32-18-12-7-13-19-32/h5-19,28,31H,4,20-27H2,1-3H3
PubChem CID	483354
ChEMBL	CHEMBL118196
IUPHAR	N/A
BindingDB	50148684
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
17819	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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