On Target PDE5A_HUMAN 0.4/CHEMBL543016
For the given ligand Celecoxib, we have found in our database that, being scored 0.4, the most similar ligand is CHEMBL543016. Check out the elaboration below.
| Celecoxib (Given Ligand) | CHEMBL543016 (Similar Ligand) |
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| Cc3ccc(c1cc(C(F)(F)F)nn1c2ccc(S(N)(=O)=O)cc2)cc3 | Cl.COc1cc2cc(CO)cc(c3ccnc(c3)N4N=C(c5cccnc5)c6ccccc6C4=O)c2cc1OC |
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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 | 00002006 00000e28 a0004108 00010610 610c1005 0400402a 02440402 01001000 06108304 c00108d0 01020004 60018000 8001c812 00e00000 01000001 800da04c 00228000 06803004 05200400 40220206 410200a0 1c03803c 38804802 8370c008 04140003 80080000 1c020280 10000861 0441430c 00460048 40060200 800246a0 |