On Target PA_INFA 0.31132075/CHEMBL2040552
For the given ligand 617, we have found in our database that, being scored 0.31132075, the most similar ligand is CHEMBL2040552. Check out the elaboration below.
| 617 (Given Ligand) | CHEMBL2040552 (Similar Ligand) |
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| Cc1ccc(N)cc1C(=O)NC(C)c2cccc3ccccc23 | O=C(O)/C(O)=C/C(=O)c1ccc(N2CCNCC2)cc1 |
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| 10000002 00800800 00000100 10010600 00000000 00008000 00000000 02001000 00800000 00080840 08200004 40008000 00008802 00200000 00000440 10000000 00002000 02000000 00000000 00000000 c0020000 08028608 20000000 0040001c 00040000 c0000000 00004000 80000000 00400100 00060003 80040000 00000600 | 00004002 00000800 00000120 c4010600 00000000 00800000 00000001 00000400 01000000 00980a40 08200004 4000c000 80008002 0000a000 00000040 00080008 00040400 02100000 08250010 00000800 40100000 38020a80 24008020 02400016 00001000 84004400 00400000 00000080 0800c000 00060002 84000000 00000600 |