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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	CHEMBL3926419
Molecular formula	C34H36F3N5O3S
IUPAC name	methyl 1'-(2,2-dimethylpropyl)-7-hydroxy-1-[2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-4-carboxylate
Molecular weight	651.749
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	8.1
Synonyms	US9120798, 43 BDBM177996 SCHEMBL15606093
Inchi Key	BBRHNLAJKXHCMH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H36F3N5O3S/c1-32(2,3)19-41-17-15-33(16-18-41)20-42(28-26(43)14-13-23(27(28)33)30(44)45-4)25-8-6-5-7-24(25)38-31-40-39-29(46-31)21-9-11-22(12-10-21)34(35,36)37/h5-14,43H,15-20H2,1-4H3,(H,38,40)
PubChem CID	90070489
ChEMBL	CHEMBL3926419
IUPHAR	N/A
BindingDB	177996
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
459391	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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