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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	CHEMBL3951413
Molecular formula	C37H35ClFN7O2S2
IUPAC name	1-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)-3-[2-[1'-(2,2-dimethylpropyl)-4-(6-fluoro-1,3-benzothiazol-2-yl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight	728.302
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	9.1
Synonyms	BDBM245394 SCHEMBL16782818 US9428504, 144
Inchi Key	BFTHWWMBOIETHI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H35ClFN7O2S2/c1-36(2,3)19-45-16-14-37(15-17-45)20-46(31-27(47)12-9-22(30(31)37)32-40-24-10-8-21(39)18-28(24)49-32)26-7-5-4-6-23(26)41-34(48)44-35-42-25-11-13-29(38)43-33(25)50-35/h4-13,18,47H,14-17,19-20H2,1-3H3,(H2,41,42,44,48)
PubChem CID	136992591
ChEMBL	CHEMBL3951413
IUPHAR	N/A
BindingDB	245394
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
557974	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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