On Target PA_INFA 0.25/CHEMBL1829211
For the given ligand Comp3, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL1829211. Check out the elaboration below.
| Comp3 (Given Ligand) | CHEMBL1829211 (Similar Ligand) |
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| O=C(O)c1cc(F)ccc1C#C/C\2=C/C/C=C2 | O=C(O)/C(O)=C/C(=O)c1ccc(-c2ccccc2)cc1 |
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| 08000200 800e0800 00100900 02090200 00402000 0000c011 00000200 00000502 00000100 00102840 01000000 d4008808 80008800 00201000 01000200 40080008 00000000 22008000 00000002 20100000 02001001 08820a20 0000a001 82400815 00000004 80010002 00400000 02c00001 00000002 00028000 c4000800 00000200 | 00002000 00000800 00000100 40010200 00000000 00800000 00000001 00000400 01000100 00980840 08000000 4000c800 80008000 00000000 00000000 00080008 00020400 02100000 04250010 10000800 00000000 18020a80 14008000 00400014 00001000 84004400 00400000 00000040 00004000 00020002 84000000 00000400 |