On Target 5HT5A_HUMAN 0.28723404/CHEMBL403102
For the given ligand Aprepitant, we have found in our database that, being scored 0.28723404, the most similar ligand is CHEMBL403102. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL403102 (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 | CC1NC(=Nc2ccccc12)NC[C@H]3CCCO3 |
|
|
|
|
|
|
| 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 | 00000052 01000000 00100102 80210e00 00080080 00100000 00000004 06003000 00000200 000808d2 19200004 44018220 00001a00 41000008 000a10c8 00180018 20004800 02000004 01400040 00000001 40002120 18018000 33000010 00500010 10090400 88000000 40000000 90000800 00000310 00860002 800c0020 e0000700 |