On Target PA_INFA 0.49565217/CHEMBL2040578
For the given ligand Raltegravir, we have found in our database that, being scored 0.49565217, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| Raltegravir (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
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| Cc3nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc1ccc(F)cc1)c(O)c(=O)n2C)o3 | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
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| 0001000a 01801808 40182100 12050e00 01080028 0012c016 00801c00 0a443407 06004900 401008e0 0839807c 40809800 04009802 00709008 00020480 000c250c 0000a008 02808523 80400000 003608c1 80000001 1805a600 21804041 4070051c 00504810 c0000680 24100070 90071001 00006185 0446c001 c46c8000 6080e3a0 | 00000202 00811808 40000100 10050e10 00000068 00124006 00c09800 0a003405 16000100 40180860 08290004 40048810 00008802 00708003 00820400 000c200c 08002068 1200b022 80c00000 10400000 80000000 48008600 21800040 4050011c 00044806 c0000680 28000030 80041004 0000410c 07660c03 c4048000 500006a0 |