On Target PA_INFA 0.33050847/CHEMBL2040552
For the given ligand PY1-61, we have found in our database that, being scored 0.33050847, the most similar ligand is CHEMBL2040552. Check out the elaboration below.
| PY1-61 (Given Ligand) | CHEMBL2040552 (Similar Ligand) |
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| CCN(CC)c3ccc(C(NC(=O)Cc1ccccc1)NC(=O)Cc2ccccc2)cc3 | O=C(O)/C(O)=C/C(=O)c1ccc(N2CCNCC2)cc1 |
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| 00004002 01800800 00100100 80010e00 00000000 00000000 00000004 02003000 00000080 00080840 08200004 40009000 01009802 00008000 40000440 00000000 00040008 02000000 08000040 00000201 c0100100 18218600 20000000 81400018 00010000 c0000000 00000000 80000080 04008100 00060203 20042000 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 |