On Target NS3_HCV1B 0.29/CHEMBL1170417
For the given ligand Abemaciclib, we have found in our database that, being scored 0.29, the most similar ligand is CHEMBL1170417. Check out the elaboration below.
| Abemaciclib (Given Ligand) | CHEMBL1170417 (Similar Ligand) |
|---|---|
| CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)nc4)CC5 | C=Cc1cc([C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)NS(=O)(=O)c2ccccc2C=C)ccc1Oc1cc(-c2ccccc2)nc2cc(OC)ccc12 |
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| 1000a002 00008800 80104180 96050610 010c1064 00106030 00006000 02081000 02000100 004138d0 0130800c 7001c800 02019802 0050b000 00020cc0 021c0004 00060200 12806004 0c600000 10a00006 c0000000 3c02b830 31802861 02700118 01040000 c0000000 080020c0 900100e3 0840c10c 00478800 40081800 e00002a2 | 08012092 41c03008 21104108 15b10600 002c1021 00018008 96060080 22081408 80800284 1049a8c0 08202004 6001b000 0f008802 0040a001 c1720441 025ea00c 020220c0 02082004 04682810 80467e01 c0400000 38248e18 30800003 bb400038 02002000 c0000006 88322048 9020406c 0c404784 20260403 a4067c02 00252670 |