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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	CHEMBL368876
Molecular formula	C31H48FN5O3
IUPAC name	(2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide
Molecular weight	557.755
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.9
Synonyms	BDBM50157314 MB-243 SCHEMBL2669430 (2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide AC1OCFWW (S)-4-Methyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide [ Show all ]
Inchi Key	YDGSHFJUSTYFRE-FTJBHMTQSA-N
Inchi ID	InChI=1S/C31H48FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t25-,26+/m1/s1
PubChem CID	6918813
ChEMBL	CHEMBL368876
IUPHAR	N/A
BindingDB	50157314
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
407243	Melanocortin receptor 3	P32244	Mc3r	Rattus norvegicus (Rat)	323
407246	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
407245	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
407247	Melanocortin receptor 4	P56450	Mc4r	Mus musculus (Mouse)	332
407248	Melanocortin receptor 4	P70596	Mc4r	Rattus norvegicus (Rat)	332
407244	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
407242	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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