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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	CHEMBL2113139
Molecular formula	C38H40ClN5O4S
IUPAC name	(3R)-N-[(2R)-1-[4-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	698.279
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	N/A
Inchi Key	CHKKKMVWAASWKU-VSJLXWSYSA-N
Inchi ID	InChI=1S/C38H40ClN5O4S/c39-31-15-13-27(14-16-31)23-35(41-37(45)34-24-29-7-4-5-8-30(29)25-40-34)38(46)43-21-19-42(20-22-43)36-12-6-9-28-17-18-44(26-33(28)36)49(47,48)32-10-2-1-3-11-32/h1-16,34-35,40H,17-26H2,(H,41,45)/t34-,35-/m1/s1
PubChem CID	71452732
ChEMBL	CHEMBL2113139
IUPHAR	N/A
BindingDB	N/A
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
42056	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
42058	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
42059	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
42057	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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