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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	CHEMBL340355
Molecular formula	C32H34ClN7O2
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	584.121
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	(R)-N-((R)-1-(4-(2-((1H-1,2,4-triazol-1-yl)methyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide BDBM50134486 (3R)-N-[(alphaR)-alpha-[4-[2-(1H-1,2,4-Triazole-1-ylmethyl)phenyl]piperazinocarbonyl]-4-chlorophenethyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide LS-193659 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-[1,2,4]triazol-1-ylmethyl-phenyl)-piperazin-1-yl]-ethyl}-amide (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-[1,2,4]triazol-1-ylmethyl-phenyl)-piperazin-1-yl]-ethyl}-amide [ Show all ]
Inchi Key	PKHOEKKVDQTOOR-FQLXRVMXSA-N
Inchi ID	InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
PubChem CID	24848995
ChEMBL	CHEMBL340355
IUPHAR	N/A
BindingDB	50134486
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
261880	Adrenocorticotropic hormone receptor	Q64326	Mc2r	Mus musculus (Mouse)	296
261882	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
261879	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
261884	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
261881	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
261883	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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