On Target NS3_HCV1A 0.5412371/CHEMBL3645761
For the given ligand Saquinavir, we have found in our database that, being scored 0.5412371, the most similar ligand is CHEMBL3645761. Check out the elaboration below.
| Saquinavir (Given Ligand) | CHEMBL3645761 (Similar Ligand) |
|---|---|
| CC(C)(C)NC(=O)[C@@H]2C[C@@H]1CCCC[C@@H]1CN2C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c5ccc4ccccc4n5 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1nccc3ccccc13)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
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| 00038002 01007c00 00104102 14010e00 000400a0 00100000 00000000 2200300d 00300880 000909e0 08390004 5003b000 0e00880a 00702002 801a0440 020c010c 10000000 02000003 02602010 00000201 40000100 382b8618 23802041 8350001c 00101000 c0000000 00000040 90000000 0c000106 00060013 a0064000 00806600 | 000180a2 09003800 06104100 15210e00 00040020 00100010 000a0000 22003409 10000000 0011c9c8 00692004 4001b000 0601881a 01502011 a0420440 02040104 04004000 02000002 46212000 00004201 40000000 38078638 20802003 b2d0003c 00100000 c0000000 00000040 90000010 08000104 c0060081 e4064004 00016260 |