On Target AOFA_HUMAN 0.2818792/CHEMBL3310020
For the given ligand DS-245, we have found in our database that, being scored 0.2818792, the most similar ligand is CHEMBL3310020. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3310020 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | Cc1ccc(cc1)[C@@H]2CC(=NN2C(=O)c3cccs3)c4cc(Br)ccc4O |
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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 | 0081404c 91e09a08 22100102 20011e80 00404000 00010000 02000081 23005202 48000900 000808c1 08310208 c00088c4 80008812 00200028 00002400 000e200c 03013000 1200100c 80200400 00020a09 80081100 d8048680 40044000 1040001c 22000000 c4400883 40520000 90000004 00800308 00cfd40b e0240008 08c10680 |