On Target GP_EBOV 0.1691843/CHEMBL3125899
For the given ligand 5, we have found in our database that, being scored 0.1691843, the most similar ligand is CHEMBL3125899. Check out the elaboration below.
| 5 (Given Ligand) | CHEMBL3125899 (Similar Ligand) |
|---|---|
| O=c3cc(c1ccc(O)c(O)c1)oc4cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c34 | 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 |
|
|
|
|
|
|
| 04402041 41200018 28080108 00110300 80281240 82004820 42002800 40800200 02284100 41000860 40000010 41008000 40808412 02a00088 11200021 002ab208 00864040 02000840 1f48a200 00821a01 00340020 08000828 15200000 0a580010 08000400 80000000 040200b5 2c900060 51056200 01820800 40a00040 00010000 | 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 |