On Target AHR_HUMAN 0.37333333/CHEMBL5266911
For the given ligand Celecoxib, we have found in our database that, being scored 0.37333333, the most similar ligand is CHEMBL5266911. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL5266911 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | CC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O |
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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 | 0000a00e 44005608 a0100180 02010610 01080086 04004012 104c4002 0000100c 06100105 800148c0 01200004 60018800 02019806 08a01000 00000c40 080d204c 10220008 82001004 04200100 00220a07 40000080 1c018f2c 3b804800 8374401c 04106000 c0000000 1ca60000 80000061 14005104 10468049 c0068218 830202a0 |