On Target PRGR_HUMAN 0.54814816/CHEMBL221686
For the given ligand Aspirin, we have found in our database that, being scored 0.54814816, the most similar ligand is CHEMBL221686. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL221686 (Similar Ligand) |
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| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)cc3)C[C@@]21C |
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| 00010000 81040008 2200010a 10010200 40483000 00000801 02040140 18001400 00002840 00580840 48100000 40409200 9402800a 00a00000 03000401 0008000c 00000000 02000000 02402098 0a022001 00000100 08000200 05008000 08400012 00001800 80002400 00524000 80000000 00014202 80020002 24020840 00000410 | 00010200 01040008 2000010a 00010200 40483000 00800001 02240081 00000402 01000800 00988848 08100080 40009008 0402800a 20a00000 01000403 0009000c 00000000 02100020 02692080 02020801 00000108 08000280 01008800 00400012 00200000 80000000 00524200 80000000 00000202 81020202 24020804 00000400 |