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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	CHEMBL402831
Molecular formula	C20H16ClF5N4O3
IUPAC name	(2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Molecular weight	490.815
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	3.8
Synonyms	ZINC29128429 Propanamide,N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-hydroxy-2-Methyl-,(2R)- 858412-39-2 (R)-N-((R)-1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)-3-fluoropyridin-2-yl)ethyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide SCHEMBL3111713 BDBM50229295 KB-80098 [ Show all ]
Inchi Key	RVBQIDXHOLKEKQ-LILOVNGRSA-N
Inchi ID	InChI=1S/C20H16ClF5N4O3/c1-8(28-18(31)19(3,32)20(24,25)26)16-14(23)4-10(7-27-16)12-5-11(21)6-13(22)15(12)17-29-9(2)33-30-17/h4-8,32H,1-3H3,(H,28,31)/t8-,19-/m1/s1
PubChem CID	16726096
ChEMBL	CHEMBL402831
IUPHAR	N/A
BindingDB	50229295
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
305880	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
305881	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337
305882	B1 bradykinin receptor	Q9BDQ5	BDKRB1	Canis lupus familiaris (Dog)	350
305883	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352

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