On Target PGH1_SHEEP 0.28333333/CHEMBL1096385
For the given ligand aprepitant, we have found in our database that, being scored 0.28333333, the most similar ligand is CHEMBL1096385. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1096385 (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 | O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c2ccc(F)cc2)c3ccccc3 |
|
|
|
|
|
|
| 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 01000008 00100103 02110300 80080050 00006010 00000800 00000000 04200900 01084840 08103200 400a8000 00010000 80a51000 00000014 020a5008 04000000 02000280 01402001 20100001 00000120 08000020 01000540 00600010 20000400 80002000 00080100 00002001 00000203 00028002 40020000 07010600 |