On Target PA_INFA 0.22900763/CHEMBL2040554
For the given ligand Boceprevir, we have found in our database that, being scored 0.22900763, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| Boceprevir (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
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| CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]3[C@@H]([C@H]1C(=O)NC(CC2CCC2)C(=O)C(N)=O)C3(C)C)C(C)(C)C | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
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| 00010000 01003400 00100000 04000c00 00000000 00000010 00000004 20002008 04000000 00020180 00200000 50013000 0e00b01a 01002011 80000000 00000000 00000010 00000001 00002050 00000201 00000100 300d0630 00000003 02100018 00011000 00000000 00000000 10000000 08000000 00040011 20024000 00002200 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 28000400 01100800 001808c0 08300000 5001d800 86028026 00200000 00000400 00080008 00000000 02000000 02252018 00000201 00000100 18000b90 04008000 00500010 00003800 80002400 00444000 90000000 00004000 00060002 04020000 00822600 |