On Target CASP1_HUMAN 0.3527508/CHEMBL181768
For the given ligand DS-245, we have found in our database that, being scored 0.3527508, the most similar ligand is CHEMBL181768. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL181768 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | CCC(N1C=CN=C(NCc2nccs2)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)CSCc3ccccc3 |
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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 | 00070022 41001400 02102508 50110e60 000f004c 08102000 04008084 20018009 06e00001 a00048e0 08290a08 5007b000 0e019092 41c40021 80822981 081c010c 0c001088 42004181 00e00010 00a01603 c0101080 f8108e82 21000b81 0261001a 07141003 cc100007 00000410 100000cc 08000a0e 004610b1 20085000 01012288 |