On Target GP_EBOV 0.204947/CHEMBL3125899
For the given ligand Shikonin, we have found in our database that, being scored 0.204947, the most similar ligand is CHEMBL3125899. Check out the elaboration below.
| Shikonin (Given Ligand) | CHEMBL3125899 (Similar Ligand) |
|---|---|
| C/C(C)=C\CC(O)c2cc(=O)c1c(O)ccc(O)c1c2=O | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |
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| 00010000 43000c08 20000102 00010202 00010000 40828002 22001081 00000603 81040800 00988840 08100200 40409040 14028002 00200000 00000424 20082008 00000004 02100000 00712010 00020a01 00400100 080202c0 0100c040 00400014 00201000 84004401 00484000 80000000 00000002 00034002 a4000000 00000400 | 04070002 41007e00 20120901 45910750 041d12c0 00000030 00002020 2000040e 00600980 001b4bc8 2830b204 5007b800 1e03883a 81d42801 811a0454 000c100c 14820000 0e000021 02e02418 40408201 60000d20 383c9e3a 2380a283 93500018 1825be01 80000210 08406000 90002140 0c000206 0146003b 64064200 27812e20 |