On Target PGH2_HUMAN 0.32298136/CHEMBL388532
For the given ligand aprepitant, we have found in our database that, being scored 0.32298136, the most similar ligand is CHEMBL388532. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL388532 (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 | OC[C@H]1C[C@@](O)([C@H](O1)c2ccc(F)cc2)c3ccc(F)cc3 |
|
|
|
|
|
|
| 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 80100102 02010300 00280050 00004010 00000000 00000040 00000900 01080840 08100000 40008000 00000000 02a11000 000c0000 020a9008 08000000 02000280 05402000 00100001 00010120 08100020 05000040 08400010 00000400 80002000 00080000 00000021 00000202 00028002 40000000 02000700 |