On Target NK2R_HUMAN 0.94074076/CHEMBL52330
For the given ligand Aprepitant, we have found in our database that, being scored 0.94074076, the most similar ligand is CHEMBL52330. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL52330 (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 | FC(F)(F)c1cc(CO[C@H]2OCCN(CC3=NNC(=O)N3)[C@H]2c4ccccc4)cc(c1)C(F)(F)F |
|
|
|
|
|
|
| 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 | 00000018 000c0008 40100100 80010e00 090000d1 00104004 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01010000 00261408 0228210c 18008040 02000002 04400000 40200000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00060002 c4540084 02002600 |