On Target NS3_HCV1B 0.3625954/CHEMBL3954962
For the given ligand Ritonavir, we have found in our database that, being scored 0.3625954, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| Ritonavir (Given Ligand) | CHEMBL3954962 (Similar Ligand) |
|---|---|
| CC(C)c4nc(CN(C)C(=O)NC(C(=O)NC(Cc1ccccc1)CC(O)C(Cc2ccccc2)NC(=O)OCc3cncs3)C(C)C)cs4 | C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |
|
|
|
|
|
|
| 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 | 10018002 01807400 00100b00 94010f10 000800c0 00100010 0000c00c 20003409 11000000 000101a0 01290000 4001f000 0e00801a 01112001 809a1408 000c110c 18860000 82000103 02402010 00001205 80000120 300f8e30 33004003 0250001c 00141400 00000000 08880000 90000005 08000204 01060813 a4024000 82002600 |