HTopo2MMR

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

HOME