On Target PA_INFA 0.24752475/CHEMBL3944613
For the given ligand Molnupiravir, we have found in our database that, being scored 0.24752475, the most similar ligand is CHEMBL3944613. Check out the elaboration below.
| Molnupiravir (Given Ligand) | CHEMBL3944613 (Similar Ligand) |
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| CC(C)C(=O)OC[C@H]2O[C@@H](n1ccc(=NO)[nH]c1=O)[C@H](O)[C@@H]2O | O=C(O)c1cn(CC2(n3ccc4cccnc43)CCCC2)cc(O)c1=O |
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| 00000042 01400000 80001588 81010700 003800e0 00004140 00000400 80000044 05006302 818000b0 0400004c 40019014 00009000 03c80110 00281080 001ed01c 10a20000 01000000 19c00000 00001801 80884020 10000a10 27800045 4c200010 10020400 40008002 40000380 10000070 000c0200 0346000a 40280000 00000084 | 00000002 49809808 60004100 40000610 001c100a 0000c144 0c000000 00200000 02000100 800000c0 0100100c 40018000 00009804 00c40000 000008c0 200c000c 00100000 82004004 08602000 00060001 c0000020 38048a70 21800001 8050001c 08042400 00000000 08000000 10040000 00400000 01460040 c00c0200 00000480 |