COMPLEX OF HUMAN NAD(P)H QUINONE OXIDOREDUCTASE WITH 5- METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7- D IONE (ES936)
PDB id Source Resolution
1KBQ HOMO SAPIENS 1.8 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
FAD Valid submit data   launch gocavviewer-lite   785.55
C27 H33 N9 O15 P2
 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
936 Valid Ki =  0.45 uM   launch gocavviewer-lite   356.329
C18 H16 N2 O6
 Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]

CHARACTERIZATION OF A MECHANISM-BASED INHIBITOR OF NAD(P)H:QUINONE OXIDOREDUCTASE 1 BY BIOCHEMICAL, X-RAY CRYSTALLOGRAPHIC, AND MASS SPECTROMETRIC APPROACHES. BIOCHEMISTRY V. 40 15135 2001

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90% Homology Family

The Class containing this family consists of a total of 3 families.
Leader:    1KBQ
COMPLEX OF HUMAN NAD(P)H QUINONE OXIDOREDUCTASE
WITH 5- METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL
)INDOLE-4,7- D IONE (ES936)
PDB id Binding data Representative ligand
1KBQ Ki = 0.45 uM 936
1D4A   FAD
1DXO   FAD
1GG5   FAD
1H66   RH1
1H69   FAD
1KBO   340
1QBG   FAD
3JSX ic50 = 7.7 nM CC2