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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	CHEMBL3981726
Molecular formula	C34H34Cl2N6O2S2
IUPAC name	1-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea
Molecular weight	693.706
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	9.0
Synonyms	US9428504, 118 BDBM245369 SCHEMBL16782761
Inchi Key	BNGNOBOYPUAPNZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H34Cl2N6O2S2/c1-33(2,3)18-41-15-13-34(14-16-41)19-42(23-9-5-4-8-22(23)37-32(44)39-26-17-45-31(36)38-26)29-24(43)12-11-20(27(29)34)30-40-28-21(35)7-6-10-25(28)46-30/h4-12,17,43H,13-16,18-19H2,1-3H3,(H2,37,39,44)
PubChem CID	136992581
ChEMBL	CHEMBL3981726
IUPHAR	N/A
BindingDB	245369
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
558116	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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