Het-PDB Navi2 (PDB: 3N3G)

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Ligands
Code	Name	Link
PEG	Di(hydroxyethyl)ether	PoSSuM
DMS	Dimethyl sulfoxide	PoSSuM
935	(E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine	PoSSuM
93N	6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile	PoSSuM

Non-standard Residues
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Download interaction data: 3N3G

Code :

3N3G PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important

Release Data :

2010-07-14

Compound :

mol_id	molecule	chains
1	Cathepsin S	A,B
	ec: 3.4.22.27

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Trichoplusia ni (taxid:7111)
	gene: CTSS expression_system_strain: BTI-Tn-5B1-4 (Hi-5)

Authors :

Fradera, X., Uitdehaag, J.C.M., van Zeeland, M.

Keywords :

Cathepsin S, covalent inhibitor, HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 1.600 Å )

Citation :

4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.

Cai, J.,Fradera, X.,van Zeeland, M. et al.
(2010) Bioorg.Med.Chem.Lett. 20 : 4507 - 4510

PDB ID: 3N3G