On Target MDR1_HUMAN 0.40930232/CHEMBL1521418
For the given ligand Celecoxib, we have found in our database that, being scored 0.40930232, the most similar ligand is CHEMBL1521418. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL1521418 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | COc1ccc(cc1)c2nn(cc2\C=C\C(=O)N3CCN(CC3)c4ccccn4)c5ccccc5 |
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| 00006036 00802208 a1100100 00b10600 01080010 00004002 00440400 00001400 00000104 000108f0 0900a004 6000800a 00000810 02000201 80200040 000c200c 00020000 02801000 04400000 10222008 c0100000 1801a020 30800800 8b404008 00000000 c0000040 30c20000 90000869 04004104 20460008 40260200 800126a2 | 10086006 4000a209 a00041a8 06010610 010c1000 00006002 82540000 00001408 03800104 20412ac0 01200084 60108000 00008832 00212000 21000843 001c204c 20060000 82804100 0c6d0100 00a21000 40100008 3e038624 30800820 8360400a 00000000 80000001 144a0080 000008e0 0c00c39c 10460909 44061204 808006a0 |