On Target CASP1_HUMAN 0.39636365/CHEMBL115336
For the given ligand test, we have found in our database that, being scored 0.39636365, the most similar ligand is CHEMBL115336. Check out the elaboration below.
| test (Given Ligand) | CHEMBL115336 (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 | CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)NC(CC(=O)O)C(=O)c2oc3ccccc3n2)C4Cc5ccccc5C4 |
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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 | 0445800a 01003800 80180122 14010640 000c0220 00000008 01000400 2a00120c 022849a0 000b0ad0 08388004 4080ba00 4e088c02 01703001 81024460 020e000c 00004200 4e008001 00e00098 40000201 40000500 38328e00 21806083 8759061c 00001001 e0000601 04000014 98040080 2c002186 01860003 a0144000 60802e00 |