On Target NS3_HCV1A 0.40810812/CHEMBL3920850
For the given ligand MOLECULE 78, we have found in our database that, being scored 0.40810812, the most similar ligand is CHEMBL3920850. Check out the elaboration below.
| MOLECULE 78 (Given Ligand) | CHEMBL3920850 (Similar Ligand) |
|---|---|
| O=C(OCC7OC(n5c(=O)n(c1ccccc1)c(=O)c4c(c2ccco2)cc(c3ccccc3)nc45)C(OC(=O)c6ccccc6)C7OC(=O)c8ccccc8)c9ccccc9 | CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc4c(cn3)OCn3c-4nc4cccnc43)cc12 |
|
|
|
|
|
|
| 0000a002 01e00a00 8008470c 92050700 003c00f0 0200e140 00009e42 00a81440 06506102 d18008f0 0c00182c 60118812 c2809c00 03f98150 10be10e0 0a1ef20c 08a64028 0280f800 1de08200 00601001 c04c00a0 18828a70 37802041 8d78041c 10040400 c0002002 64088271 18040871 04004305 0146040e c03c0840 420006a8 | 0841a002 00200809 6018490a 52310e02 0a8c1261 0200c114 00ad8c10 62a83200 14474140 510018f0 8435a12c 40358c10 c2009c15 08b09081 e12e5860 221e200c 08264020 12033800 1e600200 14d25220 c03e0008 3a068e3e f1882021 02588114 0800248c c0014002 2442c654 988010cd 0040e304 01468c01 c0140840 000106e0 |