On Target NEP_HUMAN 0.31603774/CHEMBL3677672
For the given ligand aprepitant, we have found in our database that, being scored 0.31603774, the most similar ligand is CHEMBL3677672. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3677672 (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 | C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)c3nnn(Cc4ccccc4)n3)C(=O)OCc5ccccc5 |
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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 | 00032004 11001018 40500102 00010f00 20180050 0000c008 00008000 20483404 00400980 001808c0 08310008 40209800 0400888a 00a10000 00040000 0208300c 08820000 03000804 04402000 10040201 00060120 18258e20 11005004 81400018 00204c00 80002000 00088200 10000040 05004306 00060003 d4040000 0aa08e02 |