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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	CHEMBL236840
Molecular formula	C33H36ClN3O3
IUPAC name	N-(4-aminobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
Molecular weight	558.119
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.7
Synonyms	BDBM50217637 (E)-N-(4-aminobutyl)-2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide
Inchi Key	BXQPDOCYIGQSTK-FCDQGJHFSA-N
Inchi ID	InChI=1S/C33H36ClN3O3/c1-23(19-25-9-5-4-6-10-25)22-36(18-8-7-17-35)32(38)21-29-24(2)37(31-16-15-28(40-3)20-30(29)31)33(39)26-11-13-27(34)14-12-26/h4-6,9-16,19-20H,7-8,17-18,21-22,35H2,1-3H3/b23-19+
PubChem CID	44434634
ChEMBL	CHEMBL236840
IUPHAR	N/A
BindingDB	50217637
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
35334	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
35333	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
35332	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
35335	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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