On Target RT_HIV1 0.30075186/CHEMBL3787468
For the given ligand Boceprevir, we have found in our database that, being scored 0.30075186, the most similar ligand is CHEMBL3787468. Check out the elaboration below.
| Boceprevir (Given Ligand) | CHEMBL3787468 (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=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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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 | 00010000 01002800 00100302 44050600 00000000 00004000 80000080 2000040a 00000900 001888c0 08300000 40019800 0402800a 00202000 00000402 00080008 00000400 02000020 02012000 00000201 01000100 38020e30 00008021 0250001c 01200000 80000000 00406000 d0000000 08400002 01060003 e4020000 00000600 |