On Target ALDR_HUMAN 0.27722773/CHEMBL6828
For the given ligand aprepitant, we have found in our database that, being scored 0.27722773, the most similar ligand is CHEMBL6828. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL6828 (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 | CCOC(=O)C1=C(O)C(=O)N(Cc2ccccn2)C1 |
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| 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 | 0000001a 00809000 00104100 10010e00 000400a0 08100000 02100000 02003c01 01000000 00000040 40210004 4000d000 88008802 00090000 000a0400 020c010c 30220800 02000103 30a50010 00000a01 c0002020 38118f00 23800080 00400018 00101401 c8008800 00480240 80000400 00004304 00060001 2c040000 00004210 |