On Target PA_INFA 0.11504425/CHEMBL2040552
For the given ligand 2, we have found in our database that, being scored 0.11504425, the most similar ligand is CHEMBL2040552. Check out the elaboration below.
| 2 (Given Ligand) | CHEMBL2040552 (Similar Ligand) |
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| C=CCS(=O)CC([NH3+])C(=O)[O-] | O=C(O)/C(O)=C/C(=O)c1ccc(N2CCNCC2)cc1 |
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| 00000000 44000000 20020020 00100400 01000000 00000000 00000000 00000400 00000000 00044000 00000000 40003000 00018000 00040000 80000000 00080008 04000000 00000000 00004000 00600000 40000000 00000a04 03000600 000c0010 00000200 00000000 00000000 00000010 00001000 00040120 04000000 03010020 | 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 |