On Target CASP1_HUMAN 0.392/CHEMBL101145
For the given ligand Aspirin, we have found in our database that, being scored 0.392, the most similar ligand is CHEMBL101145. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL101145 (Similar Ligand) |
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| CC(=O)Oc1ccccc1C(=O)O | CC(C)C(NC(=O)COc1c(ccc2ccccc12)C(=O)O)C(=O)N[C@H]3CC(=O)OC3O |
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| 04000000 00000808 20000108 00010200 00001000 00024000 02000000 00000800 00000100 00000840 00000000 40008020 02808002 00000000 01010001 0008200c 00020000 02008000 00000000 00420000 00000000 08020a20 10000000 00400004 00000000 80000000 00000800 00000001 00000300 00020000 c0004000 10000000 | 04042000 00007808 20100308 84010e02 00201080 00024000 02000800 20000808 00010100 000008e0 00240000 4000f020 0e808002 00002002 01181009 00282008 10260000 82028001 00c00010 00020201 00000000 38160e28 13000081 0240001c 00001401 80000000 00800808 30000001 08000300 00060001 e0404000 00002200 |