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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	CHEMBL454916
Molecular formula	C28H38Cl2N4O3
IUPAC name	N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(dimethylamino)acetamide
Molecular weight	549.537
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50245765 N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-hydroxy-3-methylbutyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)-2-(dimethylamino)acetamide
Inchi Key	ADIWESTUTGHTPP-RMVMEJTISA-N
Inchi ID	InChI=1S/C28H38Cl2N4O3/c1-19(2)15-26(35)22-7-5-6-8-25(22)33-11-13-34(14-12-33)28(37)24(31-27(36)18-32(3)4)16-20-9-10-21(29)17-23(20)30/h5-10,17,19,24,26,35H,11-16,18H2,1-4H3,(H,31,36)/t24-,26?/m1/s1
PubChem CID	25211670
ChEMBL	CHEMBL454916
IUPHAR	N/A
BindingDB	50245765
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
2351	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
2352	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
2350	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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