CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A R ESOLUTION
PDB id Source Resolution
1GG5 HOMO SAPIENS 2.5 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
E09 Valid submit data   launch gocavviewer-lite   290.314
C15 H18 N2 O4
 Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO

STRUCTURE-BASED DEVELOPMENT OF ANTICANCER DRUGS: COMPLEXES OF NAD(P)H:QUINONE OXIDOREDUCTASE 1 WITH CHEMOTHERAPEUTIC QUINONES. STRUCTURE V. 9 659 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