Human Topoisomerase IIα Molecular Modeling Repository (HTopo2MMR)

Drugs/Agents acting at DNA-Intercalation

Sr.No. HT2MMR ID SMILE Notation Download Reference
1 HT2LIG000209 Cc1c2ccncc2c(C)c2c3ccccc3[nH]c12 PDB | SDF | MOL2 J. Biol. Chem.1995,270,25,14998
2 HT2LIG000220 CN(CCOC(=O)CC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
3 HT2LIG000221 CN(CCOC(=O)CCC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
4 HT2LIG000222 CN(CCOC(=O)CCCC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
5 HT2LIG000223 CN(CCOC(=O)CCCCC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
6 HT2LIG000224 c1ccc(Cl)c2c1c1c3c(c2=O)cccc3n(n1)CCN(C)CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(c(=O)c4cccc1c24)c(Cl)ccc3 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
7 HT2LIG000225 CN(CCO)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
8 HT2LIG000226 OCCNCCNc1ccc2c3c(nn2CCNCCO)c2cccc(O)c2c(=O)c13 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
9 HT2LIG000227 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
10 HT2LIG000228 NCCCNc1ccc2c3c(nn2CCNCCO)c2c(O)ccc(O)c2c(=O)c13 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,7,3959
11 HT2LIG000229 COc1ccc(Cn2nnc3C(=O)c4cnncc4C(=O)c23)cc1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
12 HT2LIG000230 O=C1c2cnncc2C(=O)c2[nH]nnc12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
13 HT2LIG000231 Cn1nnc2C(=O)c3cnncc3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
14 HT2LIG000232 CCn1nnc2C(=O)c3cnncc3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
15 HT2LIG000233 CCCn1nnc2C(=O)c3cnncc3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
16 HT2LIG000234 CCCCn1nnc2C(=O)c3cnncc3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
17 HT2LIG000235 CC(C)n1nnc2C(=O)c3cnncc3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
18 HT2LIG000236 CC(C)Cn1nnc2C(=O)c3cnncc3C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
19 HT2LIG000237 Cn1nc2C(=O)c3cnncc3C(=O)c2n1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
20 HT2LIG000238 CCn1nc2C(=O)c3cnncc3C(=O)c2n1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
21 HT2LIG000239 CCCn1nc2C(=O)c3cnncc3C(=O)c2n1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
22 HT2LIG000240 CCCCn1nc2C(=O)c3cnncc3C(=O)c2n1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
23 HT2LIG000241 CC(C)n1nc2C(=O)c3cnncc3C(=O)c2n1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
24 HT2LIG000242 CC(C)Cn1nc2C(=O)c3cnncc3C(=O)c2n1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2008,16,8,4545
25 HT2LIG000247 CC(=O)c1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1 PDB | SDF | MOL2 Eur. J. Med. Chem.,2008,43,2,429
26 HT2LIG000292 [O-][N+](=O)c1cc2c(=O)n(CCCCNCCNCCCNCCNCCCCn3c(=O)c4cccc5cc(cc(c3=O)c45)[N+](=O)[O-])c(=O)c3cccc(c1)c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,1,13
27 HT2LIG000293 CN(CCNC(=O)CC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
28 HT2LIG000294 CN(CCNC(=O)CCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
29 HT2LIG000295 CN(CCNC(=O)CCCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
30 HT2LIG000296 CN(CCNC(=O)CCCCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
31 HT2LIG000297 CN(CCNC(=O)CCCCCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
32 HT2LIG000298 CN(CCN=[N+]=[N-])CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
33 HT2LIG000299 CN(CCN)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,13,4575
34 HT2LIG000314 CCN(CC)CCNc1nc2c(Nc3ccccc3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
35 HT2LIG000315 CCN(CC)CCCNc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
36 HT2LIG000316 CSc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
37 HT2LIG000317 CSc1nc2c(Nc3ccc(Cl)cc3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
38 HT2LIG000318 CNc1cccc(Nc2c3ccccc3nc3sc(SC)nc23)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
39 HT2LIG000319 CSc1nc2c(Nc3cccc(c3)C(F)(F)F)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
40 HT2LIG000320 CSc1nc2c(Nc3cccc(O)c3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
41 HT2LIG000321 CSc1nc2c(Nc3cccc(N)c3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
42 HT2LIG000322 CSc1nc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
43 HT2LIG000323 CSc1nc2c(Nc3cccc(NC(=O)C)c3)c3ccccc3nc2s1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2009,17,9,3266
44 HT2LIG000325 [O-][N+](=O)c1ccc(/C=C/C(=O)c2ccc(Nc3ccnc4ccc5[nH]ccc5c34)cc2)cc1 PDB | SDF | MOL2 Eur. J. Med. Chem.,2009,44,7,2854
45 HT2LIG000327 CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12 PDB | SDF | MOL2 Eur. J. Med. Chem.,2009,44,8,3235
46 HT2LIG000328 CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12 PDB | SDF | MOL2 Eur. J. Med. Chem.,2009,44,8,3235
47 HT2LIG000329 CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12 PDB | SDF | MOL2 Eur. J. Med. Chem.,2009,44,8,3235
48 HT2LIG000330 CN(C)CCCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12 PDB | SDF | MOL2 Eur. J. Med. Chem.,2009,44,8,3235
49 HT2LIG000334 COc1ccc2c(=O)c3[nH]c4ccccc4c3sc2c1 PDB | SDF | MOL2 J. Med. Chem.,2009,52,17,5429
50 HT2LIG000335 COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCN(C)C PDB | SDF | MOL2 J. Med. Chem.,2009,52,17,5429
51 HT2LIG000336 CCN(CC)CCn1c2c(=O)c3ccc(OC)cc3sc2c2ccccc12 PDB | SDF | MOL2 J. Med. Chem.,2009,52,17,5429
52 HT2LIG000337 COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCCN(C)C PDB | SDF | MOL2 J. Med. Chem.,2009,52,17,5429
53 HT2LIG000338 CCN(CC)CCCn1c2c(=O)c3ccc(OC)cc3sc2c2ccccc12 PDB | SDF | MOL2 J. Med. Chem.,2009,52,17,5429
54 HT2LIG000339 COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)ccc1n3CCN(C)C PDB | SDF | MOL2 J. Med. Chem.,2009,52,17,5429
55 HT2LIG000359 o1ccc(c1)c1cc(nc(c1)c1cccs1)c1cccs1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
56 HT2LIG000360 o1cccc1c1cc(nc(c1)c1cccs1)c1ccsc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
57 HT2LIG000361 o1ccc(c1)c1cc(nc(c1)c1cccs1)c1ccsc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
58 HT2LIG000362 o1cccc1c1cc(nc(c1)c1ccsc1)c1ccsc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
59 HT2LIG000365 Clc1oc(cc1)c1cc(nc(c1)c1cccs1)c1cccs1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
60 HT2LIG000367 Clc1oc(cc1)c1cc(nc(c1)c1cccs1)c1ccsc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
61 HT2LIG000370 Cc1ccsc1c1cc(cc(n1)c1cccs1)c1occc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
62 HT2LIG000372 Cc1oc(cc1)c1cc(nc(c1)c1sccc1C)c1cccs1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
63 HT2LIG000373 Cc1ccsc1c1cc(cc(n1)c1ccsc1)c1occc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
64 HT2LIG000376 Cc1ccsc1c1cc(cc(n1)c1sccc1C)c1occc1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2010,20,1,42
65 HT2LIG000461 Cn1cc(N)cc1C(=O)NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
66 HT2LIG000462 Cn1cc(N)cc1C(=O)NCCn1nc2c3ccccc3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
67 HT2LIG000463 CN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4cccc(Cl)c4c(=O)c4cccc2c34)n(C)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
68 HT2LIG000464 CN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4ccccc4c(=O)c4cccc2c34)n(C)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
69 HT2LIG000465 Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
70 HT2LIG000466 Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)NCCn1nc2c3ccccc3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
71 HT2LIG000467 Cn1cc(N)cc1C(=O)Nc1cc(C(=O)NCCn2nc3c4cccc(Cl)c4c(=O)c4cccc2c34)n(C)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
72 HT2LIG000468 Cn1cc(N)cc1C(=O)Nc1cc(C(=O)NCCn2nc3c4ccccc4c(=O)c4cccc2c34)n(C)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
73 HT2LIG000469 CN(C)CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)NCCn3nc4c5cccc(Cl)c5c(=O)c5cccc3c45)n(C)c2)n1C PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
74 HT2LIG000470 CN(C)CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)NCCn3nc4c5ccccc5c(=O)c5cccc3c45)n(C)c2)n1C PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
75 HT2LIG000471 OCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
76 HT2LIG000472 OCCn1nc2c3ccccc3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
77 HT2LIG000473 NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
78 HT2LIG000474 NCCn1nc2c3ccccc3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
79 HT2LIG000475 Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
80 HT2LIG000476 Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)NCCn1nc2c3ccccc3c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
81 HT2LIG000477 Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,11,3974
82 HT2LIG000484 Cc1cc(=O)oc2c(C)c3oc4cnncc4c3cc12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,15,5708
83 HT2LIG000485 CCN(CC)CCCNC(=O)c1nncc2oc3c(C)c4oc(=O)cc(C)c4cc3c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,15,5708
84 HT2LIG000486 CCN(CC)CCCNC(=O)c1nnc(C(=O)NCCCN(CC)CC)c2c1oc1c(C)c3oc(=O)cc(C)c3cc21 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,15,5708
85 HT2LIG000488 NCCCC[C@H](N)C(=O)CCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
86 HT2LIG000489 NCCCCC(N)C(=O)CCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
87 HT2LIG000494 N[C@@H](CCCNC(=N)N)C(=O)NCCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
88 HT2LIG000495 NCCNCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
89 HT2LIG000496 NCCNCCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
90 HT2LIG000497 NCCCCC(N)CNCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
91 HT2LIG000498 NCCCCC(N)CNCCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,22,8119
92 HT2LIG000510 O=c1c2ccc3ccccc3c2oc2cc(OCC3CS3)cc(OCC3CS3)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,3,1010
93 HT2LIG000518 O=c1c2cc3ccccc3cc2oc2cc(OCC3CO3)cc(OCC3CO3)c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,3,1010
94 HT2LIG000525 C(CNCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)CNc1nc2ccccc2c2[nH]c3ccccc3c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2010,18,5,1948
95 HT2LIG000601 CCCCCCCCNc1ccc2c(=O)n(CCCN3CCN(C)CC3)c(=O)c3cccc1c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
96 HT2LIG000602 CCCCCCCCCCCCNc1ccc2c(=O)n(CCCN3CCN(C)CC3)c(=O)c3cccc1c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
97 HT2LIG000603 CCCCCCCCNc1ccc2c(=O)n(CCCNCCN(C)C)c(=O)c3cccc1c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
98 HT2LIG000604 CCCCCCCCCCCCNc1ccc2c(=O)n(CCCNCCN(C)C)c(=O)c3cccc1c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
99 HT2LIG000605 CCCCCCCCn1c(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c1=O)c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
100 HT2LIG000606 CCCCCCCCCCCCn1c(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c1=O)c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
101 HT2LIG000607 CCCCCCCCn1c(=O)c2cccc3c(NCCNCCN(C)C)ccc(c1=O)c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
102 HT2LIG000608 CCCCCCCCCCCCn1c(=O)c2cccc3c(NCCNCCN(C)C)ccc(c1=O)c23 PDB | SDF | MOL2 J. Med. Chem.,2010,53,6,2589
103 HT2LIG000635 COc1cc(O)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
104 HT2LIG000636 COc1cc(OCC(O)CNCc2ccccc2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
105 HT2LIG000637 COc1cc(OCC(O)CNCCc2ccccc2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
106 HT2LIG000638 COc1cc(OCC(O)CNCC(O)c2ccccc2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
107 HT2LIG000639 COc1cc(OCC2CO2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
108 HT2LIG000640 COc1cc(OCC(O)CCl)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
109 HT2LIG000641 COc1cc(OCC(O)CO)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
110 HT2LIG000642 COCC(O)COc1cc(OC)cc2O[C@@H]3COc4cc(OC)c(OC)cc4[C@]3(O)C(=O)c12 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
111 HT2LIG000643 COc1cc(OCC(O)CN2CCOCC2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
112 HT2LIG000644 COc1cc(OCC(O)CNCCN2CCOCC2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
113 HT2LIG000645 COc1cc(OCC(O)CN2CCC(=O)CC2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
114 HT2LIG000646 COc1cc(OCC(O)CN(CCO)CCO)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 PDB | SDF | MOL2 Bioorg. Med. Chem. Lett.,2011,21,16,4813
115 HT2LIG000666 O=c1n(CCNCCCNCCn2c(=O)c3cccc4cccc(c2=O)c34)c(=O)c2cccc3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2011,19,18,5291
116 HT2LIG000667 Cn1ccc2c3ccoc3c3c(=O)n(CCNCCCNCCn4c(=O)c5c(c4=O)c4c(ccn4C)c4ccoc54)c(=O)c3c12 PDB | SDF | MOL2 Bioorg. Med. Chem.,2011,19,18,5291
117 HT2LIG000771 COC1O[C@H](C)[C@@H](C)c2c(C)c3Oc4c([C@H]5O[C@H](C)[C@@H](C)c6c(C)c(O)cc(O)c56)c(O)c(C)c5[C@H](C)[C@@H](C)O[C@@H](c3c(O)c12)c45 PDB | SDF | MOL2 J. Med. Chem.,2011,54,16,5796
118 HT2LIG000772 CN(C)CCNc1ccc2c3c(nn2CCN(C)C)c2cnccc2c(=O)c13 PDB | SDF | MOL2 J. Med. Chem.,2011,54,23,8224
119 HT2LIG000773 C[N+](C)([O-])CCNc1ccc2c3c(nn2CC[N+](C)(C)[O-])c2cnccc2c(=O)c13 PDB | SDF | MOL2 J. Med. Chem.,2011,54,23,8224
120 HT2LIG000908 O=c1[nH]c2ccc(cc2c2c1sc1cc(ccc21)C1=NCCN1)C1=NCCN1 PDB | SDF | MOL2 J. Med. Chem.,2012,55,11,5044
121 HT2LIG001045 COc1ccccc1c1ccc2cccc3c(=O)n(CCN(C)C)c(=O)c1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
122 HT2LIG001046 COc1ccc(cc1)c1ccc2cccc3c(=O)n(CCN(C)C)c(=O)c1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
123 HT2LIG001047 COc1ccccc1c1cc2c(=O)n(CCN(C)C)c(=O)c3cccc(c1)c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
124 HT2LIG001048 COc1cccc(c1)c1cc2c(=O)n(CCN(C)C)c(=O)c3cccc(c1)c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
125 HT2LIG001049 COc1ccc(cc1)c1cc2c(=O)n(CCN(C)C)c(=O)c3cccc(c1)c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
126 HT2LIG001050 COc1ccccc1c1ccc2c(=O)n(CCN(C)C)c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
127 HT2LIG001051 COc1cccc(c1)c1ccc2c(=O)n(CCN(C)C)c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
128 HT2LIG001052 COc1ccc(cc1)c1ccc2c(=O)n(CCN(C)C)c(=O)c3cccc1c23 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
129 HT2LIG001053 CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(O)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
130 HT2LIG001054 CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1ccccc1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
131 HT2LIG001055 CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(c1)C(F)(F)F PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
132 HT2LIG001056 CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(c1)[N+](=O)[O-] PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
133 HT2LIG001057 CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(N)c1 PDB | SDF | MOL2 Bioorg. Med. Chem.,2013,21,21,6484
134 HT2LIG001085 CN(C)CCn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 PDB | SDF | MOL2 Eur. J. Med. Chem.,2013,62,,130
135 HT2LIG001086 CN(C)CCn1c(=O)c2cccc3c4oc5ccccc5c4cc(c1=O)c23 PDB | SDF | MOL2 Eur. J. Med. Chem.,2013,62,,130
136 HT2LIG001087 CN(C)CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 PDB | SDF | MOL2 Eur. J. Med. Chem.,2013,62,,130
137 HT2LIG001088 CN(C)CCn1c(=O)c2cccc3c4sc5ccccc5c4cc(c1=O)c23 PDB | SDF | MOL2 Eur. J. Med. Chem.,2013,62,,130
138 HT2LIG001096 CCCCCCn1c(=O)c2cccc3c(NCCNCCN(C)C)ccc(c1=O)c23 PDB | SDF | MOL2 Eur. J. Med. Chem.,2013,65,,477
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