On Target NS5B_HCV1A 0.59375/CHEMBL13443
For the given ligand Boceprevir, we have found in our database that, being scored 0.59375, the most similar ligand is CHEMBL13443. Check out the elaboration below.
| Boceprevir (Given Ligand) | CHEMBL13443 (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 | C=CCNC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C |
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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 | 00070000 01003400 00100000 04000400 00180000 00000010 00000000 20000408 04000000 000201a0 00200800 40013000 0e008032 01012001 80000000 00080008 00000000 00000101 00c00010 00000201 00000000 300c0e20 01000003 02100018 00001000 00000000 00080000 10000000 08000002 00040011 2c004000 02802a00 |