SELECTIVE SCREENING AND DESIGN TO IDENTIFY INHIBITORS OF LEISHMANIA MAJOR PTERIDINE REDUCTASE 1
PDB id Source Resolution
3H4V 2.4 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
DVP Valid Ki =  0.1 uM   launch gocavviewer-lite   436.467
C21 H24 N8 O3
 COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N
NAP Valid submit data   launch gocavviewer-lite   743.405
C21 H28 N7 O17 P3
 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N

DISCOVERY OF POTENT PTERIDINE REDUCTASE INHIBITORS TO GUIDE ANTIPARASITE DRUG DEVELOPMENT PROC.NATL.ACAD.SCI.USA V. 105 1448 2008

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90% Homology Family

The Class containing this family consists of a total of 2 families.
Leader:    3H4V
SELECTIVE SCREENING AND DESIGN TO IDENTIFY INHIBITORS
OF LEISHMANIA MAJOR PTERIDINE REDUCTASE 1
PDB id Binding data Representative ligand
3H4V Ki = 0.1 uM DVP
1E7W   MTX
1E92   NAP
2BF7   NAP