On Target NMDE2_HUMAN 0.31182796/CHEMBL2013200
For the given ligand aprepitant, we have found in our database that, being scored 0.31182796, the most similar ligand is CHEMBL2013200. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL2013200 (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 | Oc1ccc2[nH]c(nc2c1CN3CCOCC3)c4ccccc4 |
|
|
|
|
|
|
| 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 | 1000000a 00000808 20000100 90050610 000400e0 00004000 06004000 02081400 00000100 10100850 41208004 40008000 00000806 00408000 00021448 020c210c 10020008 02002008 00200000 40460000 41000000 28008820 33800000 00400100 00046400 c0000000 00000040 80000001 00000304 00460c00 44048800 802402a0 |