On Target PLP_SARS 0.45033112/CHEMBL213054
For the given ligand Nirmatrelvir Modify, we have found in our database that, being scored 0.45033112, the most similar ligand is CHEMBL213054. Check out the elaboration below.
| Nirmatrelvir Modify (Given Ligand) | CHEMBL213054 (Similar Ligand) |
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| CC(C)(c1ccccc1)C(NC(=O)C(F)(F)F)C(=O)N2CC4C(C2C(=O)NC(C#N)CC3CCNC3=O)C4(C)C | CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
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| 00030000 01003200 00100100 04010600 00000000 000000d0 10000000 2000000c 00200880 800808c0 08300000 5003b000 0600801a 01402001 80000000 000c0008 00400000 02000000 00002008 00000205 00000100 38240630 03000403 83700018 00000800 80000000 00000100 90000000 0c000000 0006000b 20004000 00802780 | 01030000 01407000 00100100 84010600 00040080 0023c010 00000000 20000008 00a00300 000208c0 00200000 4003b000 1e00801a 00092001 80001008 021a0008 00220000 02080400 02802890 01000201 00000020 38040e30 13000083 02500018 00000401 80002002 00800800 10200020 08000200 00060001 e0024000 00802200 |