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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	CHEMBL445669
Molecular formula	C41H51N3O4
IUPAC name	methyl 4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-[4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanoyl]amino]methyl]benzoate
Molecular weight	649.876
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	7.7
Synonyms	BDBM50217791 methyl 4-((4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamido)methyl)benzoate
Inchi Key	ALEPAKIZRXGWQO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C41H51N3O4/c1-48-41(47)32-17-9-31(10-18-32)27-44(34-21-13-29(14-22-34)25-28-11-19-33(42)20-12-28)40(46)8-4-6-37-36-5-2-3-7-38(36)43-39(37)26-30-15-23-35(45)24-16-30/h2-3,5,7,9-10,15-18,23-24,28-29,33-34,43,45H,4,6,8,11-14,19-22,25-27,42H2,1H3
PubChem CID	44434698
ChEMBL	CHEMBL445669
IUPHAR	N/A
BindingDB	50217791
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
8174	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
8175	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
8177	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
8176	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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