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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	CHEMBL394394
Molecular formula	C39H48FN3O2
IUPAC name	N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(2-fluorophenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
Molecular weight	609.83
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	7.9
Synonyms	BDBM50217744 N-(2-fluorobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide
Inchi Key	BMQKGKGCMMZMEG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C39H48FN3O2/c40-36-9-3-1-6-30(36)26-43(32-20-14-28(15-21-32)24-27-12-18-31(41)19-13-27)39(45)11-5-8-35-34-7-2-4-10-37(34)42-38(35)25-29-16-22-33(44)23-17-29/h1-4,6-7,9-10,16-17,22-23,27-28,31-32,42,44H,5,8,11-15,18-21,24-26,41H2
PubChem CID	44434696
ChEMBL	CHEMBL394394
IUPHAR	N/A
BindingDB	50217744
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
27697	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
27695	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
27694	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
27696	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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