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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	CHEMBL3954066
Molecular formula	C30H36ClN5O2S2
IUPAC name	1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)urea
Molecular weight	598.221
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	6.4
Synonyms	BDBM245309 SCHEMBL16782748 US9428504, 49
Inchi Key	AKCXYEKBOCCMHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H36ClN5O2S2/c1-29(2,3)17-35-13-11-30(12-14-35)18-36(26-23(37)9-8-19(31)25(26)30)22-7-5-4-6-20(22)32-27(38)34-28-33-21-10-15-39-16-24(21)40-28/h4-9,37H,10-18H2,1-3H3,(H2,32,33,34,38)
PubChem CID	118130577
ChEMBL	CHEMBL3954066
IUPHAR	N/A
BindingDB	245309
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
533937	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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