On Target ACES_HUMAN 0.35135135/CHEMBL380050
For the given ligand aprepitant, we have found in our database that, being scored 0.35135135, the most similar ligand is CHEMBL380050. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL380050 (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 | Fc1ccc(cc1)C(N2CCN(CCN3CCOCC3)CC2)c4ccc(F)cc4 |
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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 | 00000000 00000000 00100100 86010600 00000080 00000010 00000000 03001000 00000000 00090840 08200000 40008000 00000802 00003000 00101408 00080108 10000000 02000180 00000000 00100000 00000000 28008000 12000022 02400010 00000400 e0000000 00000000 c0000001 08000380 00068002 00040000 00000600 |