On Target ADRB2_HUMAN 0.43367347/CHEMBL101606
For the given ligand Celecoxib, we have found in our database that, being scored 0.43367347, the most similar ligand is CHEMBL101606. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL101606 (Similar Ligand) |
|---|---|
| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC2CCN(CC2)S(=O)(=O)c3ccc(cc3)n4cc(cn4)C(=O)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 | 00000016 43803208 21100182 01b10610 00080090 0000c000 02000000 20001004 00600180 004908c0 09202004 70038000 00008c02 00001001 80681040 000e402c 10082000 8a000000 00480100 80226e01 c0000000 18218a20 22800800 9b400018 02040080 80000004 00d20000 1000004c 04400482 3046000a c0040000 800126f0 |