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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	CHEMBL3955518
Molecular formula	C30H31Cl2FN6O2S
IUPAC name	1-[2-[4-chloro-1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
Molecular weight	629.576
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	7.6
Synonyms	US9428504, 101 US9428504, 178 BDBM245352 SCHEMBL16782870
Inchi Key	BRIJIHRHNHGVND-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H31Cl2FN6O2S/c1-29(2,3)15-38-12-10-30(11-13-38)16-39(25-21(40)14-17(33)24(32)23(25)30)20-7-5-4-6-18(20)34-27(41)37-28-35-19-8-9-22(31)36-26(19)42-28/h4-9,14,40H,10-13,15-16H2,1-3H3,(H2,34,35,37,41)
PubChem CID	118130684
ChEMBL	CHEMBL3955518
IUPHAR	N/A
BindingDB	245352
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
534029	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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