On Target DRD5_HUMAN 0.26229507/CHEMBL116463
For the given ligand Aprepitant, we have found in our database that, being scored 0.26229507, the most similar ligand is CHEMBL116463. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL116463 (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 | Fc1ccc(cc1)C(CCCN2CCC(CC2)NC(=O)OCCc3ccc(cc3)C#N)c4ccc(F)cc4 |
|
|
|
|
|
|
| 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 01401400 00100102 02010600 00000060 00008010 00000000 21000040 00100b00 008809e0 08300000 50818800 00008002 00201100 00040000 001a0008 08420000 02080080 04800800 00100201 00000100 18080c90 01000400 00500018 00000000 a0041002 00000000 50200001 00000280 00068413 80000000 00002600 |