On Target PA_INFA 0.4/CHEMBL3944613
For the given ligand ll, we have found in our database that, being scored 0.4, the most similar ligand is CHEMBL3944613. Check out the elaboration below.
| ll (Given Ligand) | CHEMBL3944613 (Similar Ligand) |
|---|---|
| C[C@@H](CN3CCC(n2c(=O)[nH]c1ccccc12)CC3)NC(=O)c4ccccc4 | O=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O |
|
|
|
|
|
|
| 00000002 01002c00 00100100 04010600 000c0040 00004080 00000000 22001008 04200100 800109e0 0d20800c 50018000 00009802 01c42000 003004c0 000c0004 00100000 02000000 00600000 00000201 c0000000 38028630 21800001 0270001c 00000000 c0000000 00000000 90000000 08000100 00460011 c00c0000 00002280 | 00000002 49809808 60004100 40000610 001c100a 0000c144 0c000000 00200000 02000100 800000c0 0100100c 40018000 00009804 00c40000 000008c0 200c000c 00100000 82004004 08602000 00060001 c0000020 38048a70 21800001 8050001c 08042400 00000000 08000000 10040000 00400000 01460040 c00c0200 00000480 |