On Target AA3R_HUMAN 0.35333332/CHEMBL197027
For the given ligand Aprepitant, we have found in our database that, being scored 0.35333332, the most similar ligand is CHEMBL197027. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL197027 (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 | [Br-].[Br-].C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)c3ccc(cc3)C4(O)C[N+](C)(C)CCO4 |
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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 | 00002000 00000000 00100100 80050600 00000090 00004000 00001000 00000000 00000180 00080860 08201000 40008800 00000002 00010000 00281008 02280108 10020040 02000000 04000000 10000200 00000000 18200020 12000000 81400010 00000400 80002000 00080000 20000040 04004200 00060002 40000008 00000600 |