On Target ACM5_HUMAN 0.3419355/CHEMBL2042554
For the given ligand Aprepitant, we have found in our database that, being scored 0.3419355, the most similar ligand is CHEMBL2042554. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL2042554 (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 | CN(C)C[C@@H]1COCC(O1)(c2ccccc2)c3ccccc3.OC(=O)C(=O)O |
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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 00000000 80100100 80010600 000000d0 00004000 00000000 01000040 04002100 00080840 08201000 4000c000 00008000 00090000 00041008 02098008 08200000 02000000 04800000 00000000 00010020 18000a20 17000080 08400010 00000400 a0002000 00080000 40020020 00000280 00060002 40000000 00000600 |