On Target NS3_HCV1B 0.12865497/CHEMBL3954962
For the given ligand Ibuprofen, we have found in our database that, being scored 0.12865497, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| Ibuprofen (Given Ligand) | CHEMBL3954962 (Similar Ligand) |
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| CC(C)Cc1ccc(C(C)C(=O)O)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 00000000 00000100 00010200 00000040 00000000 00000000 00000000 00000900 00080840 08100000 40009800 01008000 00000000 40040000 00080008 08000000 02000000 00000000 00000001 00000100 08000a00 01000000 00400010 00000000 80000000 00000000 00000000 00000000 00020002 00002000 00000400 | 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 |