On Target NS3_HCV1A 0.3469388/CHEMBL3645743
For the given ligand XIE5-2-35, we have found in our database that, being scored 0.3469388, the most similar ligand is CHEMBL3645743. Check out the elaboration below.
| XIE5-2-35 (Given Ligand) | CHEMBL3645743 (Similar Ligand) |
|---|---|
| Clc4ccc(COc2ccc(CNCc1ccccn1)cc2OCc3ccc(Cl)cc3)cc4 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cc3cc(OC)ccc3[nH]1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 04008002 44000008 20004108 10210e00 00041020 00104000 02040000 02003001 00000100 00000840 00210004 40008800 02804886 00010080 01020401 020c810c 00002000 02000002 00680000 00020200 40000000 08008120 20800000 00c49000 00102000 c0002000 00260040 80000000 00000304 00060008 40040000 00024200 | 000180a2 0900b808 26100108 15210e00 00041020 00100010 060a0000 22003409 10000000 0011c9c8 00692004 4001b000 0601881e 01502011 a1420441 0204010c 04004000 02000006 46212000 00024201 40000000 38078638 20802003 b2d0003c 00102000 c0000000 00000000 90000010 08000304 c0060081 e4064204 00016260 |