On Target PR_HIV1 0.2580645/CHEMBL450294
For the given ligand MOLECULE 25, we have found in our database that, being scored 0.2580645, the most similar ligand is CHEMBL450294. Check out the elaboration below.
| MOLECULE 25 (Given Ligand) | CHEMBL450294 (Similar Ligand) |
|---|---|
| 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 | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCCN(C)CCOC2)cc1 |
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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 | 00000010 01c05409 2110050a 81b10600 000810c0 00028000 02000000 20000044 00542a00 014809e0 08302000 60018010 00008002 00200001 81e81009 001b0008 10022000 02080000 01400800 01027603 80000120 18280c90 17100040 d9500058 12000400 8000000e 00800000 102000ed 04000600 20060013 80000000 00012670 |