DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- BDD001 5'- MINOR GROOVE BINDER D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP *G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL- 1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE BDD002 5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3', MINOR GROOVE BINDER IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE BDD003 5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3', MINOR GROOVE BINDER IMIDAZOLE-PYRROLE POLYAMIDE DD0002 5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3', MINOR GROOVE BINDER DAPI DD0003 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0004 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0005 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0006 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0007 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3' DD0008 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0009 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0013 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE --------------------------------------------------------------------------- Page 1 created by the NDB Project on Wed May 26 14:33:09 2004 DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- DD0014 5'- MINOR GROOVE BINDER D(*CP*GP*(BRO)CP*AP*TP*AP*TP*TP*TP*GP*CP *G)-3', 5'- D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)- 3', TRI-BENZIMIDAZOLE DD0016 5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3', MINOR GROOVE BINDER NETROPSIN DD0021 5'-D(*CP*CP*AP*GP*AP*TP*CP*TP*GP*G)-3', MINOR GROOVE BINDER IMIDAZOLE-PYRROLE POLYAMIDE DD0024 5'-D(*CP*CP*IP*IP*CP*IP*CP*CP*IP*I)-3', MINOR GROOVE BINDER NETROPSIN DD0025 D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- MINOR GROOVE BINDER 3', BIS-PHENYL-FURAN DERIVATIVE DD0027 5'-D(*(BRO)CP*CP*TP*AP*GP*G)-3', MINOR GROOVE BINDER TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL DD0034 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BIS-PHENYL FURAN DERIVATIVE DD0035 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BIS-PHENYL FURAN DERIVATIVE DD0036 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BENZIMIDAZOLE DERIVATIVE DD0042 5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3', MINOR GROOVE BINDER DISTAMYCIN A DD0043 5'-D(*IP*TP*IP*TP*AP*CP*AP*C)-3', MINOR GROOVE BINDER DISTAMYCIN A DD0046 5'-D(*GP*GP*CP*CP*AP*AP*TP*TP*GP*G)-3', MINOR GROOVE BINDER DISTAMYCIN A --------------------------------------------------------------------------- Page 2 created by the NDB Project on Wed May 26 14:33:09 2004 DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- DD0052 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', carbonimidic dihydrazide derivative GDH060 5'-D(*GP*TP*AP*TP*AP*TP*AP*C)-3', MINOR GROOVE BINDER DISTAMYCIN A GDHB25 5'-D(*IP*CP*IP*CP*IP*CP*IP*C)-3', MINOR GROOVE BINDER DISTAMYCIN GDJ046 5'-D(*CP*GP*CP*AP*AP*TP*TP*GP*CP*G)-3', MINOR GROOVE BINDER NETROPSIN GDJ054 5'-D(*CP*AP*TP*GP*GP*CP*CP*AP*TP*G)-3', MINOR GROOVE BINDER DIIMIDAZOLE LEXITROPSIN GDJ057 5'-D(*CP*CP*AP*GP*GP*(BR)CP*CP*TP*GP*G)- MINOR GROOVE BINDER 3' GDJ059 5'-D(*CP*CP*CP*CP*CP*IP*IP*IP*IP*I)-3', MINOR GROOVE BINDER NETROPSIN GDJB29 5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3', GROOVE BINDER, COVALENT ANTHRAMYCIN GDJB55 5'- MINOR GROOVE BINDER D(*CP*(BRO)CP*CP*CP*CP*IP*IP*IP*IP*I)- 3', NETROPSIN GDJB58 5'- MINOR GROOVE BINDER D(*CP*CP*CP*(BRO)CP*CP*IP*IP*IP*IP*I)- 3', NETROPSIN GDL001 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)- 3', NETROPSIN, CONFORMATION 1 GDL002 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258 --------------------------------------------------------------------------- Page 3 created by the NDB Project on Wed May 26 14:33:09 2004 DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- GDL003 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', DISTAMYCIN GDL004 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)- 3', NETROPSIN, CONFORMATION 2 GDL006 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258 GDL007 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)- 3', HOECHST 33258 GDL008 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', 4'-6-DIAMIDINE-2-PHENYL INDOLE GDL009 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BERENIL GDL010 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258, 0 C, PIPERAZINE UP GDL011 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258, 0 C, PIPERAZINE DOWN GDL012 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258,-25 C, PIPERAZINE DOWN GDL013 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258,-100 C, PIPERAZINE DOWN GDL014 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', NETROPSIN GDL015 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', PENTAMIDINE --------------------------------------------------------------------------- Page 4 created by the NDB Project on Wed May 26 14:33:09 2004 DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- GDL016 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', BERENIL GDL018 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', NETROPSIN GDL021 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33342 GDL022 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', HOECHST 33258 GDL023 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', PROPAMIDINE GDL026 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', HOECHST 33258 GDL027 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', GAMMA-OXAPENTAMIDINE GDL028 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', HOECHST 33258 GDL030 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*G)- 3', NETROPSIN GDL032 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', PROPAMIDINE GDL033 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', 5-(2-IMIDAZOLINYL)-2[2-(4- HYDROXYPHENYL)-5-BENZIMIDAZOLYL] BENZIMIDAZOLE GDL036 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', 2,5-BIS(4-GUANYLPHENYL)FURAN --------------------------------------------------------------------------- Page 5 created by the NDB Project on Wed May 26 14:33:09 2004 DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- GDL037 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', MONOIMIDAZOLE LEXITROPSIN (ORIENTATION 1) GDL038 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', MONOIMIDAZOLE LEXITROPSIN (ORIENTATION 2) GDL039 5'- MINOR GROOVE BINDER D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)- 3', TRIBIZ GDL044 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', 2,5-BIS{[4-(N-ISOPROPYL)AMIDINO] PHENYL}FURAN GDL045 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', 2,5-BIS{[4-(N-CYCLOPROPYLAMIDINO) PHENYL]}FURAN GDL047 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', META-OH(N) HOECHST, 'HYDROXYL IN' CONFORMATION GDL048 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', META-OH(N) HOECHST, 'HYDROXYL OUT' CONFORMATION GDL052 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 GDL053 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', SN7167 COMPLEX GDL056 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)- 3', 2,5-BIS{[4-(N-ETHYLAMIDINO)] PHENYL}FURAN GDLB05 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*(BR)CP*GP*CP* G)-3', NETROPSIN GDLB17 5'- MINOR GROOVE BINDER D(*CP*GP*CP*(C2H5)GP*AP*AP*TP*TP*CP*GP*C P*G)-3', NETROPSIN --------------------------------------------------------------------------- Page 6 created by the NDB Project on Wed May 26 14:33:09 2004 DNA GROOVE BINDER COMPLEXES --------------------------------------------------------------------------- NDB ID Descriptor/Drug Name Binding Type --------------------------------------------------------------------------- GDLB19 5'- MINOR GROOVE BINDER D(*CP*GP*CP*(C2H5)GP*AP*AP*TP*TP*CP*GP*C P*G)-3', HOECHST 33258 GDLB20 5'- MINOR GROOVE BINDER D(*CP*GP*CP*(C2H5)GP*AP*AP*TP*TP*CP*GP*C P*G)-3', HOECHST 33342 GDLB24 5'- MINOR GROOVE BINDER D(*CP*GP*CP*(C2H5)GP*AP*AP*TP*TP*CP*GP*C P*G)-3', SN6999 GDLB31 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*(BR)CP*GP*CP* G)-3', NETROPSIN, RE-REFINEMENT GDLB41 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*(CH3)CP*GP*CP *G)-3', DISTAMYCIN A GDLB42 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*(CH3)CP*GP*CP *G)-3', BERENIL GDLB43 5'- MINOR GROOVE BINDER D(*CP*GP*CP*GP*AP*AP*TP*TP*(CH3)CP*GP*CP *G)-3', HOECHST 3325 GDLB49 5'-D(*IP*CP*AP*TP*AP*TP*IP*C)-3', MINOR GROOVE BINDER DISTAMYCIN A, MONOCLINIC FORM GDLB50 5'-D(*IP*CP*AP*TP*AP*TP*IP*C)-3', MINOR GROOVE BINDER DISTAMYCIN A, TETRAGONAL FORM GDLB51 5'-D(*IP*CP*IP*TP*AP*CP*IP*C)-3', MINOR GROOVE BINDER DISTAMYCIN A --------------------------------------------------------------------------- Page 7 created by the NDB Project on Wed May 26 14:33:09 2004