On Target ACM1_HUMAN 0.34375/CHEMBL2110892
For the given ligand Aprepitant, we have found in our database that, being scored 0.34375, the most similar ligand is CHEMBL2110892. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL2110892 (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 | CCN(CC)CCOC(=O)C(N1CCCCC1)c2ccccc2 |
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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 01000000 00100300 80010600 000000c0 00000000 00000000 22001040 00000000 000808c0 08200000 5001b000 03008802 00000000 c00c1408 00080008 18060000 02000000 04000000 00000201 00010020 18008a00 13000000 00500010 30000400 c0000000 00000000 90000001 00000300 00060002 20046000 00000600 |