On Target RT_HIV1 0.33333334/CHEMBL4227119
For the given ligand Entecavir, we have found in our database that, being scored 0.33333334, the most similar ligand is CHEMBL4227119. Check out the elaboration below.
| Entecavir (Given Ligand) | CHEMBL4227119 (Similar Ligand) |
|---|---|
| C=C1[C@H](CO)[C@@H](O)C[C@@H]1n3cnc2c(=O)nc(N)[nH]c23 | C=C(C)[C@@H]1CC[C@]2(CNCCn3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
|
|
|
|
|
|
| 0000000a 81801800 00080000 00000600 00180060 0000c040 0008b004 00000c00 16400100 809000e8 0000800c 40091000 00009000 01c00000 00080484 100c000c 00000000 00008100 09c12000 00200001 80000100 1c000050 21800840 00700014 00000000 80200000 60000000 80040000 00004008 01461000 e4080000 80000280 | 00000002 01000c00 00100302 40050600 00180040 00004000 80000080 20000402 00200900 001808c0 08309008 40018800 00029002 01200000 00000c82 000c000c 00000400 02000020 02412000 00000201 81000100 38020a30 21008021 02500014 01200000 80000000 00406000 d0000000 08400002 01460012 e40a0000 00000e00 |