On Target PA_INFA 0.2871795/CHEMBL2040569
For the given ligand Entecavir, we have found in our database that, being scored 0.2871795, the most similar ligand is CHEMBL2040569. Check out the elaboration below.
| Entecavir (Given Ligand) | CHEMBL2040569 (Similar Ligand) |
|---|---|
| C=C1[C@H](CO)[C@@H](O)C[C@@H]1n3cnc2c(=O)nc(N)[nH]c23 | O=C(NCC1CC1)c1nc(-c2cnccn2)[nH]c(=O)c1O |
|
|
|
|
|
|
| 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 | 00000202 00011808 40100100 10040e10 00000068 00124006 00c09800 28003405 16000100 401000a0 00290004 40040810 00008002 01708003 00820400 000c200c 08000068 1200b022 80c00000 10400201 00000000 50058600 21800040 4010011c 00044806 c0000680 28000030 90041004 0000410c 07660c01 e4008000 500002a0 |