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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	CHEMBL398889
Molecular formula	C29H40FN5O2S
IUPAC name	1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-[(3S,4S)-1-(cyclopropylmethyl)-4-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidin-3-yl]urea
Molecular weight	541.73
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.8
Synonyms	SCHEMBL18844431 1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(cyclopropylmethyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea BDBM50210021
Inchi Key	BGRYRZFRZVJJFE-KYPHJKQUSA-N
Inchi ID	InChI=1S/C29H40FN5O2S/c1-19-27(20(2)36)38-29(31-19)33-28(37)32-26-18-35(15-22-5-6-22)13-11-24(26)17-34-12-3-4-23(16-34)14-21-7-9-25(30)10-8-21/h7-10,22-24,26H,3-6,11-18H2,1-2H3,(H2,31,32,33,37)/t23-,24-,26+/m0/s1
PubChem CID	44445893
ChEMBL	CHEMBL398889
IUPHAR	N/A
BindingDB	50210021
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
23379	C-C chemokine receptor type 3	P51677	CCR3	Homo sapiens (Human)	355

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