Drug Information

Drug General Information
Drug ID
D0G2JZ
Former ID
DNC000323
Drug Name
Bisbenzimide (Hoechst 33258)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [537830]
Structure
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2D MOL

3D MOL
Formula
C27H28N6O
Canonical SMILES
CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=<br />C5)N6CCN(CC6)C
InChI
1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)
InChIKey
PRDFBSVERLRRMY-UHFFFAOYSA-N
PubChem Compound ID
1464
PubChem Substance ID
13370, 3139814, 5522209, 7543792, 7888233, 11120266, 11120754, 11121242, 11121746, 11122226, 11362895, 11365457, 11368019, 11370981, 11370982, 11373620, 11376181, 11404370, 14931137, 24439802, 24511022, 26701859, 26718767, 26756838, 26756839, 47216565, 47810531, 48496159, 49893496, 50111448, 51005510, 56436354, 56464091, 57320908, 85788275, 92310097, 92469638, 93166607, 93576070, 99301009, 99302529, 103386844, 103826188, 104297815, 117443008, 124573766, 128956343, 128956344, 134994352, 135727639
Target and Pathway
Target(s) DNA Target Info Binder (minor groove binder) [537830]
References
Ref 537830Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex. Nucleic Acids Res. 1994 May 11;22(9):1607-12.
Ref 537830Sequence-dependent effects in drug-DNA interaction: the crystal structure of Hoechst 33258 bound to the d(CGCAAATTTGCG)2 duplex. Nucleic Acids Res. 1994 May 11;22(9):1607-12.

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