On Target BACE1_HUMAN 0.40892193/CHEMBL3261077
For the given ligand test, we have found in our database that, being scored 0.40892193, the most similar ligand is CHEMBL3261077. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3261077 (Similar Ligand) |
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| CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4 | C[C@]1(Cc2cccn2C(=N1)N)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F |
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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 | 0200400a 00204800 c0105120 52110e30 05861220 08108018 00230400 42061001 00c00b80 00890ad2 08398014 4081c000 8000a801 08101888 00820860 02140104 03440a10 0e000006 08a00008 00200201 44100100 39128600 20812403 83400c14 00160808 c0100001 48000440 90000081 0c608904 00868043 80040200 20004700 |