On Target PA_INFA 0.37606838/CHEMBL2040578
For the given ligand Seed1, we have found in our database that, being scored 0.37606838, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| Seed1 (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
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| C[C@@H]4CCCN(Cc2cc(=O)n1[nH]c(=N)[nH]c1n2)c3ccccc34 | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
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| 00004002 0120080a 60100193 08050f00 20820004 00106044 01800000 28203c01 07100b00 080c08e0 08314004 4001c800 04008006 00700000 00020460 080c000e 00848808 03808002 88400008 00220201 c0100100 1c018050 20810842 40540114 20006c00 c0008601 60220020 90161880 0008c105 04460002 e0008080 200006a1 | 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 |