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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	CHEMBL1911964
Molecular formula	C30H28F7N3O3
IUPAC name	2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[3-(hydroxymethyl)-5-oxopyrrolidin-2-yl]pyridin-3-yl]-N,2-dimethylpropanamide
Molecular weight	611.561
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50419332 SCHEMBL1866905
Inchi Key	AYUYKFLBPMUYIU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H28F7N3O3/c1-15-7-20(31)5-6-21(15)22-12-23(26-16(14-41)8-25(42)39-26)38-13-24(22)40(4)27(43)28(2,3)17-9-18(29(32,33)34)11-19(10-17)30(35,36)37/h5-7,9-13,16,26,41H,8,14H2,1-4H3,(H,39,42)
PubChem CID	57396275
ChEMBL	CHEMBL1911964
IUPHAR	N/A
BindingDB	50419332
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
17811	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
17810	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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