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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	CHEMBL396111
Molecular formula	C41H52ClN3O4
IUPAC name	N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
Molecular weight	686.334
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	8.4
Synonyms	BDBM50217731 N-(2-chloro-4,5-dimethoxybenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide
Inchi Key	BIPSMDWSUSSJDS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C41H52ClN3O4/c1-48-39-24-30(36(42)25-40(39)49-2)26-45(32-18-12-28(13-19-32)22-27-10-16-31(43)17-11-27)41(47)9-5-7-35-34-6-3-4-8-37(34)44-38(35)23-29-14-20-33(46)21-15-29/h3-4,6,8,14-15,20-21,24-25,27-28,31-32,44,46H,5,7,9-13,16-19,22-23,26,43H2,1-2H3
PubChem CID	44434763
ChEMBL	CHEMBL396111
IUPHAR	N/A
BindingDB	50217731
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
24645	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
24646	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
24643	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
24644	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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