On Target GP_EBOV 0.22335026/CHEMBL3125898
For the given ligand LIGAND 40, we have found in our database that, being scored 0.22335026, the most similar ligand is CHEMBL3125898. Check out the elaboration below.
| LIGAND 40 (Given Ligand) | CHEMBL3125898 (Similar Ligand) |
|---|---|
| C#CC4C16OPO/C=C1/OC5(n3cnc2c(=O)[nH]c(N)nc23)OC456 | CC[C@H](C)[C@H](N)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)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](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)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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| 0080000a 81c41800 80081e00 81010f00 807829e4 0008c140 0082fc84 88083c00 16604100 81f000fa 8c00808c 4001d000 80009000 23c80100 02081484 113ed00c 01ab202c 00008000 39c1c010 0020d403 c0180128 1c000ed0 27800ac0 0c706814 10028405 c0200016 7e200202 b4050078 0003c218 00465020 d5e80800 8001c280 | 04070002 41007e00 20120921 4d910710 041d12c0 00000030 00002020 2000040e 00600980 021f4bc8 2830b204 5003b800 1e03883e 81d42901 811a0454 000c100c 14820000 0e000021 02e02418 40408301 60000d20 383c9e3a 2380a683 97500018 1825be01 80000210 08406000 90002140 0c001206 0146003b 64064200 27812e20 |