On Target AA1R_HUMAN 0.32087228/CHEMBL3234963
For the given ligand DS-245, we have found in our database that, being scored 0.32087228, the most similar ligand is CHEMBL3234963. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3234963 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | Nc1nc(SCc2csc(n2)C3CCCCC3)nc(c4ccc5OCOc5c4)c1C#N |
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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 | 0002a00a 41000909 20000928 18dd2611 00001004 00004004 038481a0 00098808 04320100 004148c0 40208a04 f2019900 02004072 20340001 21023001 002c800c 04428840 060023c0 06c82038 43223203 003c0a02 48020080 b08025c8 06c90118 42041000 9c198000 00220200 200211c4 0100420c 04c61020 48421880 601102f0 |