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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	THIQ
Molecular formula	C33H41ClN6O2
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	589.181
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.9
Synonyms	GTPL1338 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide KB-70894 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-trazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide 3-IsoquinolinecarboxaMide,N-[(1R)-1-[(4-chlorophenyl)Methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylMethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-,(3R)- HLCHESOMJVGDSJ-LOYHVIPDSA-N ZINC36269777 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(3H-[1,2,4]triazol-1-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide AKOS024457391 LS-193654 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide CHEMBL339053 SCHEMBL1920108 (3R)-N-[(1R)-1-[(4-Chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide 312637-48-2 J-018327 (R)-N-((R)-1-(4-((1H-1,2,4-triazol-1-yl)methyl)-4-cyclohexylpiperidin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide BDBM50119368 MolPort-023-276-639 [ Show all ]
Inchi Key	HLCHESOMJVGDSJ-LOYHVIPDSA-N
Inchi ID	InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
PubChem CID	9938402
ChEMBL	CHEMBL339053
IUPHAR	1338
BindingDB	50119368
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
117736	Adrenocorticotropic hormone receptor	Q64326	Mc2r	Mus musculus (Mouse)	296
117735	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
117741	Melanocortin receptor 3	P32244	Mc3r	Rattus norvegicus (Rat)	323
117737	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
117739	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
117743	Melanocortin receptor 4	P70596	Mc4r	Rattus norvegicus (Rat)	332
117738	Melanocortin receptor 5	P35345	Mc5r	Rattus norvegicus (Rat)	325
117740	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
117742	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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