On Target GP_EBOV 0.18532819/CHEMBL3125895
For the given ligand XIE5-2-9, we have found in our database that, being scored 0.18532819, the most similar ligand is CHEMBL3125895. Check out the elaboration below.
| XIE5-2-9 (Given Ligand) | CHEMBL3125895 (Similar Ligand) |
|---|---|
| CCN(CC)c4ccc(CNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3)cc4 | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)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]1CSCC(=O)NCCC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)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)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |
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| 0400c002 44000808 20000108 80210600 00001000 00004000 02040000 02001000 00000100 00000840 00200004 40008800 02804886 00018080 01000441 02088008 00042000 02000000 08480000 00020200 40100000 08008120 20000000 00c49000 00002000 c0002000 00260000 80000080 00008300 00060008 40040000 00020200 | 04070002 47007e08 20120100 4d910e50 041d12c0 00000010 02002020 2000200c 00600b80 020f4bc2 28308004 5007b800 1e01983e 01d42901 811a0040 001c000c 14000000 0e000001 00e02418 40420301 60000d00 383d8e3a 23800283 97500018 18043a01 80000200 48124000 10000140 0c000016 0046003b e00c4200 23812e20 |