On Target PA_INFA 0.28104576/CHEMBL2040640
For the given ligand Grazoprevir, we have found in our database that, being scored 0.28104576, the most similar ligand is CHEMBL2040640. Check out the elaboration below.
| Grazoprevir (Given Ligand) | CHEMBL2040640 (Similar Ligand) |
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| C=C[C@@H]1C[C@]1(NC(=O)[C@@H]2C[C@@H]6CN2C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3C[C@H]3CCCCCc5nc4ccc(OC)cc4nc5O6)C(=O)NS(=O)(=O)C7CC7 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCCN(S(=O)(=O)Cc2ccccc2)C1 |
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| 0405208a 0f407018 6010050a 15b10710 801c11e0 86018114 070aa003 a0609608 10c10a00 005888c8 0024a404 4085b040 0e00c816 09c42903 f1de1541 021ea00c 1aa24000 260a8104 40e12c18 00064201 40120040 bc148e30 33a00083 32148438 02042401 40001002 08808200 902000ad 0c000306 80864883 a4064000 25212a70 | 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 |