On Target TRY1_HUMAN 0.401487/CHEMBL436851
For the given ligand test, we have found in our database that, being scored 0.401487, the most similar ligand is CHEMBL436851. Check out the elaboration below.
| test (Given Ligand) | CHEMBL436851 (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)CC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)c3oc4ccccc4n3.OC(=O)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 | 0441000a 01003200 80180120 14010e40 00040220 00000018 01000400 2800220c 02284ba0 000a0ad2 08388004 4083b880 46089412 01702001 81024060 021c000c 00004000 4e008000 00202088 40000205 40100500 38250e30 20806003 87590618 00001800 a0000601 44000014 98040080 2c002094 0186000b a01c4000 60002600 |