On Target NK1R_HUMAN 0.335/CHEMBL43044
For the given ligand Celecoxib, we have found in our database that, being scored 0.335, the most similar ligand is CHEMBL43044. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL43044 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | COc1ccccc1CN(C[C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc4ccc(CO)cc4)C(=O)C |
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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 | 04002002 00803a08 20100108 45810612 00041280 00004100 02042000 2200140c 00400980 001908c0 08340004 4000c000 18808802 00402800 01181641 000c200c 10000000 82000000 00200400 00020201 c0000100 38248628 32800000 93400018 00042000 c0000000 08420008 90000001 0c000300 0006000b 64040200 00000620 |