On Target ACM4_HUMAN 0.3480663/CHEMBL292857
For the given ligand Aprepitant, we have found in our database that, being scored 0.3480663, the most similar ligand is CHEMBL292857. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL292857 (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 | [I-].C[N+]1(C)C2CCC1CC3(C2)OC(=O)C(O3)(c4ccccc4)c5ccccc5 |
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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 | 00000040 01000000 00100100 00010f00 08080050 00004014 00000800 21002040 00200100 000808e0 0c200000 5001d000 01008002 00890000 40040000 0a289008 08a20020 82000000 04c02000 00000201 00010020 18010a30 05000080 08500014 00000401 e0002000 00080000 74001020 00000280 00060006 40222000 02002600 |