On Target NS3_HCV1B 0.26732674/CHEMBL1170417
For the given ligand Doravirine, we have found in our database that, being scored 0.26732674, the most similar ligand is CHEMBL1170417. Check out the elaboration below.
| Doravirine (Given Ligand) | CHEMBL1170417 (Similar Ligand) |
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| Cn3c(Cn2ccc(C(F)(F)F)c(Oc1cc(Cl)cc(C#N)c1)c2=O)n[nH]c3=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 |
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| 00008002 40020c08 60104108 00010601 81041038 00000044 968c0c00 00200401 06008104 408008f0 04010124 44858800 82008806 0a600002 81120001 010e200c 00408400 02808020 20e82100 00260200 50400000 18018110 e1800c80 0272a080 00006440 c0004400 00600020 d02a0010 00008384 00060600 80620480 00021220 | 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 |