On Target NS3_HCV1B 0.185/CHEMBL3954962
For the given ligand DB00176, we have found in our database that, being scored 0.185, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| DB00176 (Given Ligand) | CHEMBL3954962 (Similar Ligand) |
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| COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1 | 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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| 00000000 01000000 00900102 00050f00 00080000 10000000 10000440 00002000 00108948 00080851 09110000 40008801 00000800 01a00000 00000000 00090018 00800000 02000000 80406400 00800401 00000100 08008000 03000000 00400010 00000000 80000004 48000100 92000000 0000020a 00060002 40180000 00000600 | 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 |