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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	CHEMBL431562
Molecular formula	C32H42N8O5S2
IUPAC name	(2R)-1-[4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonyl-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]pyrrolidine-2-carboxamide
Molecular weight	682.859
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	4.5
Synonyms	4-(Diphenylmethyl)-1-[4-[[(2R)-2-[[[2-[[2-(dimethylamino)ethyl](methyl)amino]ethyl]amino]carbonyl]pyrrolidine-1-yl]sulfonyl]-2-nitrophenyl]thiosemicarbazide
Inchi Key	ZIBIVIRBYMBEHZ-MUUNZHRXSA-N
Inchi ID	InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)/t28-/m1/s1
PubChem CID	10556495
ChEMBL	CHEMBL431562
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
429032	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396
429033	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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