On Target PA_INFA 0.3467742/CHEMBL2040640
For the given ligand Danoprevir, we have found in our database that, being scored 0.3467742, the most similar ligand is CHEMBL2040640. Check out the elaboration below.
| Danoprevir (Given Ligand) | CHEMBL2040640 (Similar Ligand) |
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| CC(C)(C)OC(=O)N[C@@H]6CCCCC/C=C\[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]5C[C@@H](OC(=O)N4Cc3cccc(F)c3C4)CN5C6=O | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1 |
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| 00050280 0dc07800 00100300 97310700 00100080 00018010 000a0001 a200140a 10800200 0050a8c8 00202400 5101b000 0e02c81a 01243303 805814a0 081a8008 12266200 02080140 40e12810 02004201 80020000 bc148e70 13008083 3254003c 02200001 c0281003 00c04200 9020002d 0c000300 81068487 a4064000 01012a70 | 00018000 05000220 00102102 01310600 00000000 00000000 00000084 28008400 11000800 007808c4 08302418 5001d800 8e029036 00240001 80400400 000c0008 0000400c 02000100 00252018 00004a01 80000100 1c800b90 04008000 10500030 02003800 80002400 00444000 9000000c 04004002 0006008a 24000000 00032670 |