Het-PDB Navi2 (PDB: 3VFE)

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Ligands
Code	Name		Style	Show	Link
0HL	4-{[(3r)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide				PoSSuM

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Download interaction data: 3VFE

Code :

3VFE PDBj RCSB PDB PDBe

Header :

HYDROLASE

Title :

Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group

Release Data :

2012-11-21

Compound :

mol_id	molecule	chains	synonym
1	Kallikrein-6	A	Neurosin, Protease M, SP59, Serine protease 18, Serine protease 9, Zyme
	ec: 3.4.21.- fragment: hk6 chain A mutation: N132Q, R74Q, R76G

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	SPODOPTERA FRUGIPERDA (taxid:7108)
	gene: KLK6, PRSS18, PRSS9 expression_system_common: FALL ARMYWORM expression_system_cell_line: SF9

Authors :

Chen, X., Zhang, Y., Xia, T., Wang, R.

Keywords :

human kallikrein 6, hk6, serine protease, protein-ligand complex, Amidinothiophene, HYDROLASE

Exp. method :

X-RAY DIFFRACTION ( 1.8800 Å )

Citation :

Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.

Liang, G.,Chen, X.,Aldous, S. et al.
(2012) Bioorg.Med.Chem.Lett. 22 : 2450 - 2455

PDB ID: 3VFE