On Target ACM2_HUMAN 0.37853107/CHEMBL51096
For the given ligand Aprepitant, we have found in our database that, being scored 0.37853107, the most similar ligand is CHEMBL51096. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL51096 (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 | CC(C)NC(=O)c1ccc(cc1)C2(OCCO2)C3CCN(CC3)C4CCN(CC4)C(=O)c5ccc(F)c6ccccc56 |
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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 01001c00 80100102 42050700 00100010 00004014 00000000 22001000 00300900 000809e0 08300000 50018800 80008802 00211000 00200400 02289008 00000000 02000100 00400000 00100201 00000120 180e8628 05000000 0850001c 00000400 c0002000 00080200 b0000021 00000300 00068013 e0040000 00002e00 |