On Target PA_INFA 0.30960855/CHEMBL2040578
For the given ligand Dolutegravir, we have found in our database that, being scored 0.30960855, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| Dolutegravir (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
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| C[C@@H]3CCO[C@H]4Cn2cc(C(=O)NCc1ccc(F)cc1F)c(=O)c(O)c2C(=O)N34 | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
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| 10000082 44c0fc08 60104100 d2010f90 0404102a 08128154 1c024000 82203401 02200301 805308d0 01290004 c0018000 80009806 08581100 00021c80 221e710c 02226200 82004106 00e00800 00160201 c0000021 383f8e10 23802081 6654013c 18152401 c0001082 08e00260 90240011 08440304 45068051 e40c0000 c0004200 | 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 |