On Target PADI4_HUMAN 0.37288135/CHEMBL5946428
For the given ligand Celecoxib, we have found in our database that, being scored 0.37288135, the most similar ligand is CHEMBL5946428. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL5946428 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | COc1cc(C(=O)N2CC3CCC2[C@@H]3N)cc2nc(-c3cc4ccc(-c5ccnn5C)cc4n3CC3CC3)n(C)c12 |
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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 | 00006006 4500bc08 e0100108 10050600 010c1070 00006016 06c40000 2218100c 00000110 300119c0 0120800c 70058000 80009812 09408003 01224445 220c200c 00020008 1280200c 0c682000 10660205 c0100000 780f8638 31800801 8254c01c 00004800 c0000200 10020040 90000060 0840430c 01460c51 e0049e00 002422a0 |