On Target PA_INFA 0.27659574/CHEMBL2040578
For the given ligand Pibrentasvir, we have found in our database that, being scored 0.27659574, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| Pibrentasvir (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
|---|---|
| COC(=O)N[C@H](C(=O)N1CCC[C@H]1c%10nc9cc([C@H]5CC[C@H](c4cc3nc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c3cc4F)N5c8cc(F)c(N7CCC(c6ccc(F)cc6)CC7)c(F)c8)c(F)cc9[nH]%10)[C@@H](C)OC | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
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| 0000408a 0100fa00 00100f02 56050e00 200402e0 0033e030 01000000 22003009 04900b00 004948c0 09318004 f081f000 1c018802 0060b000 00021440 021e010d 03262608 06080086 08a02018 05100a01 40300102 38078e30 338100a1 22500018 01106001 c0000002 00800840 900000a3 08408306 00c7880b e004c000 200066a0 | 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 |