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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	CHEMBL249854
Molecular formula	C27H36FN5O3S
IUPAC name	1-[(3S,4S)-1-acetyl-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidin-3-yl]-3-(5-acetyl-4-methyl-1,3-thiazol-2-yl)urea
Molecular weight	529.675
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50209974 SCHEMBL18844251 1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-acetylpiperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
Inchi Key	ZFRLEPMXXGKKBN-WPFOTENUSA-N
Inchi ID	InChI=1S/C27H36FN5O3S/c1-17-25(18(2)34)37-27(29-17)31-26(36)30-24-16-33(19(3)35)12-10-22(24)15-32-11-4-5-21(14-32)13-20-6-8-23(28)9-7-20/h6-9,21-22,24H,4-5,10-16H2,1-3H3,(H2,29,30,31,36)/t21-,22-,24+/m0/s1
PubChem CID	11953409
ChEMBL	CHEMBL249854
IUPHAR	N/A
BindingDB	50209974
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
427284	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
427281	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355
427282	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
427283	Probable C-C chemokine receptor type 3	P51678	Ccr3	Mus musculus (Mouse)	359

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