On Target NTRK1_HUMAN 0.3219697/CHEMBL3286830
For the given ligand aprepitant, we have found in our database that, being scored 0.3219697, the most similar ligand is CHEMBL3286830. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3286830 (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]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N |
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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 | 0400000e 40c00809 62104188 92010f10 a10c1000 0400c01e 100c0001 0a223401 00100900 119828c0 08251024 50158800 00808886 08211080 21220c81 820c600c 004220c0 82c0014c 04e80000 00f23003 c0020020 1c03a760 20804ca0 02e0901c 10a46411 c8082402 88224288 80000041 0040830d 00068003 c44c9000 00000620 |