On Target CHLE_HUMAN 0.40650406/CHEMBL4078849
For the given ligand DS-245, we have found in our database that, being scored 0.40650406, the most similar ligand is CHEMBL4078849. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL4078849 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | O=C(NCC1CCCN(Cc2nc3ccccc3s2)C1)c4ccc5ccccc5c4 |
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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 | 00030002 11001c00 02100108 10010e00 000c0020 00108000 00000080 2201f00b 00400000 000019e0 00210a04 50018000 000088b2 00400020 000224c0 0204050c 00001000 02000086 00200010 00000201 40001000 d80f86a8 20800000 0251001c 02100002 cc000000 40000000 90000004 00000304 00061011 a0040000 00416600 |