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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	CHEMBL402303
Molecular formula	C25H31Cl2N3O
IUPAC name	2-(3,4-dichloro-N-methylanilino)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
Molecular weight	460.443
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.7
Synonyms	ZINC29042667 1034708-24-1 BDBM50239135 Ethanone,2-[(3,4-dichlorophenyl)methylamino]-1-[(2R,3R)-3-phenyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]- 2-((3,4-dichlorophenyl)(methyl)amino)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone KB-76896 [ Show all ]
Inchi Key	HXWCQEQIPYCSAM-QPPBQGQZSA-N
Inchi ID	InChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3/t21-,24+/m1/s1
PubChem CID	25067046
ChEMBL	CHEMBL402303
IUPHAR	N/A
BindingDB	50239135
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
126761	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
126759	Urotensin-2 receptor	Q9UKP6	UTS2R	Homo sapiens (Human)	389
126760	Urotensin-2 receptor	P49684	Uts2r	Rattus norvegicus (Rat)	386

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