On Target ACE_HUMAN 0.36842105/CHEMBL148616
For the given ligand DS-245, we have found in our database that, being scored 0.36842105, the most similar ligand is CHEMBL148616. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL148616 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | C[C@H](CS)C(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)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 | 0001801a 0080d800 00100100 51910e10 000410a0 00100000 01003000 02003005 00400880 00090840 08310004 4000b000 1e008882 00648800 800a04c0 020c010c 10000200 02000026 00600408 00400a01 c0020100 18218e08 23804240 91400018 00143801 c0000001 08004000 80000000 04000104 00860023 20044200 01016620 |