On Target TRY1_HUMAN 0.33009708/CHEMBL3893474
For the given ligand aprepitant, we have found in our database that, being scored 0.33009708, the most similar ligand is CHEMBL3893474. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3893474 (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 | NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3nc(ccc3c2)C(=O)N(CC(=O)O)Cc4ccc(CC(=O)O)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 | 0401801a 00804818 20004108 90090e00 000410e0 00104000 02080000 02003001 00000100 00080842 08290004 4000b800 83808806 00518000 41070441 020c010c 18062000 02000002 08200000 00020000 c0020000 08028e28 33802000 80c0101c 00102000 c0002000 40000040 80000080 00008314 00060003 e0046000 14004600 |