On Target ACM4_HUMAN 0.39534885/CHEMBL244946
For the given ligand Celecoxib, we have found in our database that, being scored 0.39534885, the most similar ligand is CHEMBL244946. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL244946 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | Cc1ccc2c(cccc2n1)c3nnc(SCCCN4CCc5ccc(cc5CC4)c6cc(C)nn6C)n3C |
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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 | 0000e006 00100908 e0104920 10118640 010c1021 00000006 00c40100 10082001 00020188 000848c4 0930810c 60808900 82410812 00648001 00020040 020c200c 04028200 06913000 84600001 12260240 40380000 1821a008 31884a00 83484018 22000000 c0000080 10220040 00000061 04004104 00061022 80040e80 01012666 |