On Target AOFA_HUMAN 0.29064038/CHEMBL3781885
For the given ligand aprepitant, we have found in our database that, being scored 0.29064038, the most similar ligand is CHEMBL3781885. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3781885 (Similar Ligand) |
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| 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 | Cl.N[C@@H]1C[C@H]1c2ccc(NC(=O)c3ccc(NC(=O)OCc4ccccc4)c(c3)N5CCOCC5)cc2 |
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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 | 11004002 00400a00 40001101 c0010600 00000080 08004000 00000000 02001200 00800b04 000808d0 083c2004 4000c000 02008802 01118000 00041048 12180108 10068000 02804400 08000880 00400001 40100100 18028e30 32012002 81400014 00040400 80002002 08000020 80000080 24408300 8206200b c0041100 00020600 |