On Target MIF_HUMAN 0.36/CHEMBL3797437
For the given ligand aprepitant, we have found in our database that, being scored 0.36, the most similar ligand is CHEMBL3797437. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3797437 (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 | Oc1cc2OCOc2cc1C(N3CCOCC3)c4ccc(cc4)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 | 00000009 46000008 20100108 80010600 00001080 00000000 42040400 03001600 00200100 00180850 48200000 40008800 80004802 21000000 01001409 0028a108 10000000 02000000 00080000 00020a00 00040200 08008000 12000000 00468010 40000400 e0000000 003a0100 f0000001 01040380 00060002 06140000 02010600 |