On Target IKKB_HUMAN 0.40939596/CHEMBL3318173
For the given ligand Aspirin, we have found in our database that, being scored 0.40939596, the most similar ligand is CHEMBL3318173. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL3318173 (Similar Ligand) |
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| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | COc1cccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](OC(=O)C=C(C)C)[C@]5(C(=O)O)CC[C@]34C)C2(C)C)c1 |
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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 | 00050000 c9000808 20000108 80010300 000c1050 00204000 02000000 00000402 01000100 01100848 40000000 40009000 1402800a 00810000 01004405 22081008 00820000 02000020 23492010 02022201 00000020 08020a20 01008000 00400014 00201400 80002000 0048c000 80000000 00000200 8002000a e4020000 02000010 |