On Target MK03_HUMAN 0.39252338/CHEMBL555017
For the given ligand Aspirin, we have found in our database that, being scored 0.39252338, the most similar ligand is CHEMBL555017. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL555017 (Similar Ligand) |
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| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O |
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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 | 04050041 81000838 22800b0b 80210302 00281041 82a20800 c22402c1 28000642 05042854 019a0a48 48140200 4000d060 1682802a 00a00000 11280407 0808b008 00800400 a2108124 1361201e 0202a801 00040120 18021a80 0500a061 0a400014 01201400 c0000400 00526a08 c0800420 00414302 80234002 a4020000 00000410 |