On Target PTGES_HUMAN 0.3982684/CHEMBL4092750
For the given ligand test, we have found in our database that, being scored 0.3982684, the most similar ligand is CHEMBL4092750. Check out the elaboration below.
| test (Given Ligand) | CHEMBL4092750 (Similar Ligand) |
|---|---|
| CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4 | OC(=O)c1cccnc1CC[C@@H]2CCC[C@@H]2NC(=O)C3CCN(CC3)c4ccc(cc4)C(F)(F)F |
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| 0041400e 01800804 c0184322 52010e60 34040020 09000038 01000434 20002001 00004d00 008a2a50 08388004 5180b824 04009c01 0930b000 00020063 02040004 084c0600 06402808 88a00008 41000a15 441c0500 38018600 60826480 04500012 0115000a 81100381 04000440 98040081 08608004 00c68403 0c145000 68014688 | 0002400a 01801800 00104102 10010610 20041020 0000e000 01000400 20000000 00300900 000808d0 08308004 50839800 04008802 01208000 00020060 020c000c 00040000 06000004 08202008 00000201 c0700500 18048e50 20804000 0050001c 00040000 80000201 08000240 90000080 00408006 01860003 c0120000 20802600 |