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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	methyl 1-[3-(4-{[4-(4-nitrophenyl)piperazino]methyl}phenoxy)propyl]-4-piperidinecarboxylate
Molecular formula	C27H36N4O5
IUPAC name	methyl 1-[3-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenoxy]propyl]piperidine-4-carboxylate
Molecular weight	496.608
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.9
Synonyms	AKOS005076817 MLS000763505 KS-00002YO8 ZINC8762113 860649-27-0 MolPort-001-685-363 MCULE-3531301214 AC1MCCL8 Methyl 1-[3-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenoxy]propyl]piperidine-4-carboxylate CHEMBL1373728 SMR000336851 10X-0986 methyl 1-[3-(4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenoxy)propyl]piperidine-4-carboxylate [ Show all ]
Inchi Key	JDFGIAMGXCGAPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H36N4O5/c1-35-27(32)23-11-14-28(15-12-23)13-2-20-36-26-9-3-22(4-10-26)21-29-16-18-30(19-17-29)24-5-7-25(8-6-24)31(33)34/h3-10,23H,2,11-21H2,1H3
PubChem CID	2766354
ChEMBL	CHEMBL1373728
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
148112	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
481197	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
148113	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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