On Target GP_EBOV 0.33950618/CHEMBL3125899
For the given ligand minocycline, we have found in our database that, being scored 0.33950618, the most similar ligand is CHEMBL3125899. Check out the elaboration below.
| minocycline (Given Ligand) | CHEMBL3125899 (Similar Ligand) |
|---|---|
| [H][C@@]24Cc1c(N(C)C)ccc(O)c1/C(O)=C2/C(=O)[C@]3(O)/C(O)=C(C(N)=O)\C(=O)[C@@H](N(C)C)[C@]3([H])C4 | 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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| 100f0012 cb000008 21900312 00310600 22390004 40006001 830800c0 18000c02 11a00940 005a88da 08302204 4143f800 9c02802a 00b00000 00020466 0008210a 2004c400 02000160 1ac5a01c 80022203 40100500 580006b0 2500c0a0 00500010 01241000 80000e01 00446000 d0001180 0442c002 00060402 7c024080 20c10e02 | 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 |