On Target NS3_HCV1B 0.39647576/CHEMBL3954962
For the given ligand MOLECULE 25, we have found in our database that, being scored 0.39647576, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| MOLECULE 25 (Given Ligand) | CHEMBL3954962 (Similar Ligand) |
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| COC(=O)NC(C(=O)N1CCCC1c8ncc(c7ccc(c6ccc(c5ccc(c4cnc(C2CCCN2C(=O)C(NC(=O)OC)c3ccccc3)[nH]4)cc5)cc6)cc7)[nH]8)c9ccccc9 | 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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| 0000a00a 01803800 00100d00 94010e10 00000040 0011001a 01400000 22083049 00800380 000808d0 08218000 4001b800 0b008882 08102000 40020000 801e010c 00028000 06002022 04000018 50000a01 80200000 38278e10 31002001 8350001c 00140001 80080002 00000208 900010e0 0c014304 00e60803 e00468a0 20002600 | 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 |