On Target COMT_HUMAN 0.24905661/CHEMBL3425740
For the given ligand test, we have found in our database that, being scored 0.24905661, the most similar ligand is CHEMBL3425740. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3425740 (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 | CCCC(O)C1=CC(=O)C(=CN1c2cccc(c2)c3ccccc3)O |
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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 | 0000200a 01000a08 60005102 10010610 00041428 04004004 15800000 00201100 02100b00 800808c0 08108004 40818000 00008805 00600200 00020040 020c000c 00028000 06804004 04600008 00060001 40000100 18008030 31800002 81500414 02042400 c0080040 08520260 000500c0 04404004 0a86000a c0040000 60200400 |