On Target NS5B_HCV1A 0.27931035/CHEMBL3644940
For the given ligand Fedratinib, we have found in our database that, being scored 0.27931035, the most similar ligand is CHEMBL3644940. Check out the elaboration below.
| Fedratinib (Given Ligand) | CHEMBL3644940 (Similar Ligand) |
|---|---|
| Cc3cnc(Nc2ccc(OCCN1CCCC1)cc2)nc3Nc4cccc(S(=O)(=O)NC(C)(C)C)c4 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(c2cc(Nc3ccccc3)nc(OC)n2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 |
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| 04002012 00800008 21100088 09b80612 02081288 00024010 0200a010 200008c8 00002100 000008c0 00302004 60009000 04800022 00000001 812a1941 000c020c 10042000 12004000 0840000a 50a26201 c0080002 1c042000 32804840 08400018 02040000 00000004 02040800 100110cd 00008608 20660804 43000000 000102e0 | 00030486 0d403410 00100120 0d390f00 a0080000 0001c100 000a8814 a0103c09 10802300 00528be8 00302424 7001b050 0e00f102 01042101 a0c20640 001e800c 12865010 10486000 4861085a 10205a01 60120300 be050e10 21824043 3204003a 02192000 00f01102 02000400 902000ac 0a008218 81460093 e4185000 050122f0 |