On Target NPBW1_HUMAN 0.23275863/CHEMBL1940539
For the given ligand Aprepitant, we have found in our database that, being scored 0.23275863, the most similar ligand is CHEMBL1940539. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1940539 (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 | COc1ccc(cc1)C2(CCC2)N[C@@H]3CC[C@@H]([C@H](C3)c4ccsc4)C(=O)N5CCN(CC5)c6nc7ccccc7[nH]6 |
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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 | 00010002 01002208 2010090a 85010600 00141040 00004000 02040000 22001008 00000900 200808c0 09308204 40019080 0400881a 00603011 01001441 001c000c 00000000 02004000 02202008 00a24601 40000100 7e8086b0 21800821 32700018 00004800 c4000000 00320000 90000004 0800031a 0046180b 60069000 00c12e80 |