On Target MDR1_HUMAN 0.47368422/CHEMBL4077753
For the given ligand DS-245, we have found in our database that, being scored 0.47368422, the most similar ligand is CHEMBL4077753. Check out the elaboration below.
| DS-245 (Given Ligand) | CHEMBL4077753 (Similar Ligand) |
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| CCCC(NC(=O)C(CCSC)NC(=O)c1cc(Cl)cc(Cl)c1)c3nc2CCCCc2s3 | COc1cc(cc(OC)c1OC)C(=O)NC(C(C)C)c2nc(cs2)C(=O)NC3CCC(F)(F)CC3 |
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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 | 0002000b 45003808 2210090d 10010e00 10001402 00100002 42040080 2201f009 00000000 004008c0 00298a61 d0018000 0000c8d2 00000021 01026409 2004810c 10009000 060000a6 02282018 00028ac1 00001800 d8079690 21000008 c0d5801c 02109000 cc018810 00320030 90001004 00000304 06861009 a8040080 20010211 |