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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	CHEMBL3964629
Molecular formula	C27H42Cl2N4O2
IUPAC name	3,4-dichloro-N-[[(3R,5R)-1-[(3,5-dimethylcyclohexyl)methyl]-2-oxo-3-[2-(propan-2-ylamino)ethyl]-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight	525.559
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.4
Synonyms	BDBM232016 US9340517, 404
Inchi Key	ANCNDIIDLUJRTQ-WDMMGBOLSA-N
Inchi ID	InChI=1S/C27H42Cl2N4O2/c1-17(2)30-9-7-25-27(35)33(16-20-12-18(3)11-19(4)13-20)10-8-22(32-25)15-31-26(34)21-5-6-23(28)24(29)14-21/h5-6,14,17-20,22,25,30,32H,7-13,15-16H2,1-4H3,(H,31,34)/t18?,19?,20?,22-,25-/m1/s1
PubChem CID	127054209
ChEMBL	CHEMBL3964629
IUPHAR	N/A
BindingDB	232016
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
533951	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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