On Target TRY1_HUMAN 0.53759396/CHEMBL169291
For the given ligand DS-245, we have found in our database that, being scored 0.53759396, the most similar ligand is CHEMBL169291. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL169291 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)C(=O)CCc3ccccc3)C(=O)c4nc5CCCc5s4 |
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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 | 0403008a 01003300 00100920 15810e14 0c000200 00020010 034030a0 2801a008 00600a00 00480ad2 08388a20 d003b020 0600b0da 00303801 83422000 10144004 01208000 0e001080 00006018 80004201 04100902 788d06b0 2000402b 52510018 02043800 8e000400 60200810 10001184 080a0014 0486100b b8084080 20012610 |