On Target NS3_HCV1A 0.6223176/CHEMBL3958144
For the given ligand MOLECULE 25, we have found in our database that, being scored 0.6223176, the most similar ligand is CHEMBL3958144. Check out the elaboration below.
| MOLECULE 25 (Given Ligand) | CHEMBL3958144 (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 | CC(C)c1ccc2c(Nc3cc(-c4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)N(C)C)n5)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1 |
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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 | 0000a00a 01803a00 001a4d00 1c190e10 04040060 0010601a 01409010 22083845 10002180 000808d0 08319004 6081b800 07008882 08912000 40020040 9a0c0106 04069000 76006022 0c60000a 52200a01 c1200000 38278660 31806041 8358001f 00144001 80080200 022082d8 908010c0 0c41c30c 01e60803 c004e8a0 200126e0 |