On Target NMDE1_HUMAN 0.21764706/CHEMBL284237
For the given ligand aprepitant, we have found in our database that, being scored 0.21764706, the most similar ligand is CHEMBL284237. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL284237 (Similar Ligand) |
|---|---|
| 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@]12N[C@H](Cc3ccccc13)c4ccccc24 |
|
|
|
|
|
|
| 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 | 00000008 00000000 00100100 10010600 00000020 00000002 00000400 03001001 04000880 00080840 08300000 40808000 00000802 00200000 00000400 00000080 00002000 02000020 00100000 00000201 00020100 18308000 00404000 81400810 00000000 e0200001 00004000 c0000000 06000180 00860002 20040000 00000700 |