On Target NS3_HCV1A 0.34035087/CHEMBL3645728
For the given ligand Ritonavir, we have found in our database that, being scored 0.34035087, the most similar ligand is CHEMBL3645728. Check out the elaboration below.
| Ritonavir (Given Ligand) | CHEMBL3645728 (Similar Ligand) |
|---|---|
| CC(C)c4nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)C(C)C)cs4 | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c(C)c(C)c1C(C)=O)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)C1CC1 |
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| 0103000a 01407000 1010090a 34010e10 000800c2 00128002 00002084 2001f00f 10600b80 004a08c0 08318a00 f003b000 0400b052 00212001 00022000 001e002c 0002c010 020804a0 00c12850 8100ca41 80002900 783d1ed0 231000c9 9351001c 02051001 8c008802 00200001 90221004 0c081206 04061003 a0024000 a0092601 | 0001808a 0d80b800 00100100 55300e10 04000020 00108012 100a2080 2200340d 10400100 00598898 00292404 40013000 8600c89a 0934a011 80420480 080c810c 02004000 02000026 40312400 00004201 84020000 bc0786f0 20806003 3254003c 02142000 40000000 08004010 9000100c 08000104 80060083 a4024200 01016270 |