On Target ACM3_HUMAN 0.40361446/CHEMBL1921938
For the given ligand Aprepitant, we have found in our database that, being scored 0.40361446, the most similar ligand is CHEMBL1921938. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1921938 (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 | C[C@@](N1CCCCC1)(C(=O)O[C@H]2C[N+]3(CCOCc4ccccc4)CCC2CC3)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 00100300 80010700 001000d0 00004000 00000000 22001040 00000100 000808c0 08201000 5001b000 03008802 00010000 c02c1408 02081008 18060000 02000000 04400000 00000201 00010020 18008a20 13000000 00500010 30000400 c0002000 00080200 90000001 00000300 00060002 60046000 00000e00 |