On Target SCN9A_HUMAN 0.4/CHEMBL3960184
For the given ligand DS-245, we have found in our database that, being scored 0.4, the most similar ligand is CHEMBL3960184. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL3960184 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | CNC(=O)c1cc(Nc2ncnc(n2)N3CCC(CC3)c4nc(cs4)c5ccccc5)ccc1Cl |
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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 | 1003800a 01000801 00100900 10010600 02000000 08000000 400000a0 221998c8 00800500 004048d0 00208a04 d0019800 06008856 00000001 00022041 100c0004 00069000 17006080 0c000018 10200201 60080800 58028780 60004008 00510014 02843000 8e100204 00280008 900013c4 2040c10c 04e61001 c8041880 22030210 |