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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	CHEMBL162787
Molecular formula	C22H28N6O5S3
IUPAC name	(2S)-N-benzyl-1-[[4-(2-methylsulfanylethylsulfamoyl)-2-nitroanilino]carbamothioyl]pyrrolidine-2-carboxamide
Molecular weight	552.683
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	3.4
Synonyms	(2S)-N-Benzyl-1-[2-[2-nitro-4-[2-(methylthio)ethylsulfamoyl]phenyl]hydrazinocarbonothioyl]pyrrolidine-2-carboxamide
Inchi Key	DWFVMTJWYLYAQR-IBGZPJMESA-N
Inchi ID	InChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H,23,29)(H,26,34)/t19-/m0/s1
PubChem CID	44375692
ChEMBL	CHEMBL162787
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
70533	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396
70534	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407
70535	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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