On Target CASP1_HUMAN 0.4/CHEMBL400514
For the given ligand Aspirin, we have found in our database that, being scored 0.4, the most similar ligand is CHEMBL400514. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL400514 (Similar Ligand) |
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| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | C=C1[C@@]2(C)C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=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 | 00050000 81040000 00800900 80010300 c0380000 00200801 02000040 08000402 00000140 00128008 40000200 4000d000 14028028 00800000 00000404 0008100c 00820000 00000000 32402090 0200a001 00000030 00001a00 0100a000 00000012 00201400 00000400 00406200 80000000 00000200 80000002 24020000 00800010 |