On Target NS3_HCV1B 0.25296444/CHEMBL1170417
For the given ligand Brequinar, we have found in our database that, being scored 0.25296444, the most similar ligand is CHEMBL1170417. Check out the elaboration below.
| Brequinar (Given Ligand) | CHEMBL1170417 (Similar Ligand) |
|---|---|
| Cc4c(c2ccc(c1ccccc1F)cc2)nc3ccc(F)cc3c4C(=O)O | 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 |
|
|
|
|
|
|
| 00002002 00001801 00104100 12010210 00041020 0000c030 00000000 00080004 00400100 10000840 00008004 50008800 80008800 00609000 20220040 0a0c000d 00020200 02003204 04200000 50500000 40000000 08028a28 30800000 80400004 00040000 80000000 08000040 00000041 10414004 00028400 c0040800 00000220 | 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 |