On Target ACES_HUMAN 0.420339/CHEMBL3343928
For the given ligand DS-245, we have found in our database that, being scored 0.420339, the most similar ligand is CHEMBL3343928. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3343928 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | CC1N([C@@H](Cc2c1[nH]c3ccccc23)C(=O)NCCCCCCNc4c5CCCCc5nc6ccccc46)C(=O)OC(C)(C)C |
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| 0002800a 09003900 02100902 15910e54 18000100 02120022 074030a0 2a01f00f 84400800 004948d8 00218a00 d004b820 060188d6 08243c21 84422400 00040304 04009200 060000a6 00202018 80004a41 44101800 f88f8780 20004309 52c1001c 02143000 cc010401 00200a00 90003184 080a0304 04861825 a8044080 21032210 | 0001c00a 01c0fa00 40104102 d5810e10 20041320 0011a042 0100a000 2200300d 10c00a80 000908d0 08318004 4081b000 1e008882 0060a800 000204c0 0a1e010e 00068200 06080026 08202c18 00000a01 c4120100 38278e18 20804001 9350001c 00143800 c0000003 0820c040 902010a0 0c488306 0086000b a0044280 20006660 |