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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	CHEMBL1163888
Molecular formula	C27H23N5O3S
IUPAC name	N-[4-[3-(3-aminopropanoylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl]thiophene-2-carboxamide
Molecular weight	497.573
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.3
Synonyms	N-{4-[3-(beta-Alanylamino)phenyl]-3-cyano-6-(2-hydroxy-4-methylphenyl)pyridin-2-yl}thiophene-2-carboxamide SCHEMBL5015360 BDBM50320813
Inchi Key	HYRQMHQVTRODKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H23N5O3S/c1-16-7-8-19(23(33)12-16)22-14-20(17-4-2-5-18(13-17)30-25(34)9-10-28)21(15-29)26(31-22)32-27(35)24-6-3-11-36-24/h2-8,11-14,33H,9-10,28H2,1H3,(H,30,34)(H,31,32,35)
PubChem CID	136016389
ChEMBL	CHEMBL1163888
IUPHAR	N/A
BindingDB	50320813
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
561254	KiSS-1 receptor	Q969F8	KISS1R	Homo sapiens (Human)	398

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