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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	CHEMBL497746
Molecular formula	C29H40ClFN4O2
IUPAC name	N-[(1S)-1-[2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
Molecular weight	531.113
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50261195 1-{2-[(1S)-(3-Dimethylaminopropionamino)-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
Inchi Key	ROSDSGGMKIYLIM-ZBLYBZFDSA-N
Inchi ID	InChI=1S/C29H40ClFN4O2/c1-20(2)27(32-26(36)13-14-33(4)5)24-7-6-8-25(31)28(24)34-15-17-35(18-16-34)29(37)21(3)19-22-9-11-23(30)12-10-22/h6-12,20-21,27H,13-19H2,1-5H3,(H,32,36)/t21-,27+/m1/s1
PubChem CID	44577060
ChEMBL	CHEMBL497746
IUPHAR	N/A
BindingDB	50261195
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
301467	Growth hormone secretagogue receptor type 1	Q92847	GHSR	Homo sapiens (Human)	366
301465	Melanocortin receptor 3	P32244	Mc3r	Rattus norvegicus (Rat)	323
301470	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
301471	Melanocortin receptor 3	P33033	Mc3r	Mus musculus (Mouse)	323
301464	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
301469	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
301472	Melanocortin receptor 4	P70596	Mc4r	Rattus norvegicus (Rat)	332
301466	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
301468	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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