On Target NS3_HCV1B 0.22429906/CHEMBL3954962
For the given ligand Entecavir, we have found in our database that, being scored 0.22429906, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| Entecavir (Given Ligand) | CHEMBL3954962 (Similar Ligand) |
|---|---|
| C=C1[C@H](CO)[C@@H](O)C[C@@H]1n3cnc2c(=O)nc(N)[nH]c23 | C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |
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| 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 | 10018002 01807400 00100b00 94010f10 000800c0 00100010 0000c00c 20003409 11000000 000101a0 01290000 4001f000 0e00801a 01112001 809a1408 000c110c 18860000 82000103 02402010 00001205 80000120 300f8e30 33004003 0250001c 00141400 00000000 08880000 90000005 08000204 01060813 a4024000 82002600 |