On Target AOFB_HUMAN 0.35661766/CHEMBL3604128
For the given ligand test, we have found in our database that, being scored 0.35661766, the most similar ligand is CHEMBL3604128. Check out the elaboration below.
| test (Given Ligand) | CHEMBL3604128 (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 | CN(CC#C)c1nc2nc(CCC3CCN(Cc4ccccc4)CC3)ccc2c(c5ccccc5)c1C#N |
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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 | 0001700a 01000801 40104102 18450610 04443025 00004040 01000000 22101a00 00300900 208908d0 09308004 70839800 85000802 00f08000 20120440 020c0004 00460800 06004004 0ca02008 40a00201 40100500 1c028038 38804d80 82700118 04040000 c0080200 080006c0 900010c0 0040c10e 01c60c02 60041000 200006a0 |