On Target PR_FCoV 0.5283019/CHEMBL4214066
For the given ligand Nirmatrelvir, we have found in our database that, being scored 0.5283019, the most similar ligand is CHEMBL4214066. Check out the elaboration below.
| Nirmatrelvir (Given Ligand) | CHEMBL4214066 (Similar Ligand) |
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| CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC3C(C1C(=O)NC(C#N)CC2CCNC2=O)C3(C)C | CC(C)C[C@H](NC(=O)OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O |
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| 00030000 01003000 00100000 04000400 00000000 000000d0 10000000 20000008 00200000 80000080 00200000 50033000 0600801a 01402001 80000000 00080008 00400000 00000000 00002000 00000205 00000000 30040630 03000403 02300018 00000000 00000000 00000100 90000000 08000000 00040001 20004000 00802380 | 00030000 01403000 00100100 04010600 00000000 00018010 00000001 20000008 00a00200 00020080 00200000 5003b000 0e00801a 00002101 80000000 001a0008 00220000 00080000 00802810 00000201 00000000 30140f70 01000081 02100018 00000001 00001002 00000000 10200020 08000200 00040005 a0004000 00802200 |