On Target PPARG_HUMAN 0.37956205/CHEMBL2336643
For the given ligand aprepitant, we have found in our database that, being scored 0.37956205, the most similar ligand is CHEMBL2336643. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL2336643 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | CCOC(CNCc1ccc(cc1)C(F)(F)F)OCC |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 00000008 00000000 00100100 80010600 00000080 00000000 00000400 0a001000 00200100 00000870 00200000 40008000 80000802 01000000 00001408 00280008 10000000 02000000 00000000 00000000 00000000 08008000 12000000 00400000 00000400 c0000000 00000100 b4000001 00000300 00060000 00140000 00000200 |