On Target BACE1_HUMAN 0.5488722/CHEMBL3639931
For the given ligand DS-245, we have found in our database that, being scored 0.5488722, the most similar ligand is CHEMBL3639931. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3639931 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c3cccc(c3)C(=O)N4CCC[C@@H]4c5nc(C)cs5)C1=O |
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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 | 0003000a 01007c00 02100902 14010e00 10000081 00100012 138000c0 2201f00f 00300880 00480de0 08318a00 d003b000 160088da 00202021 00122400 080c010c 10009000 060000a6 00e02818 00000a01 00201900 f82f8690 230000e9 83d1001c 02101001 cc010000 08300000 90001184 0c000306 04861013 a8044080 20812610 |