On Target NS3_HCV1A 0.59409595/CHEMBL3983555
For the given ligand Ledipasvir, we have found in our database that, being scored 0.59409595, the most similar ligand is CHEMBL3983555. Check out the elaboration below.
| Ledipasvir (Given Ligand) | CHEMBL3983555 (Similar Ligand) |
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| COC(=O)N[C@H](C(=O)N2CC1(CC1)C[C@H]2c%10nc(c9ccc8c7ccc(c6ccc5[nH]c([C@@H]4[C@H]3CC[C@H](C3)N4C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c6)cc7C(F)(F)c8c9)c[nH]%10)C(C)C | COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C#Cc3ccc(Sc4ccc(N)cc4)c(Nc4ncnc5nc(C(C)C)ccc45)c3)cc2)c[nH]1)C(C)C |
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| 0000a00a 01003801 00100d00 94050e10 00040061 1011c01a 01400400 21082049 00800300 000808d0 09218004 7081ba02 0e008082 0970a000 20020040 821e010c 00028000 06083026 04202018 50080a1b 44300008 38070e30 31806011 02500038 00940001 a0080082 00000248 d00010e1 0a414284 01e60803 e01248a0 200066a0 | 1000820a 01827a00 001a4d00 1c190e10 04442060 0011e01a 01409010 20082849 10802300 000808d0 08319004 6081b800 0e008883 08912000 00020440 9a1e010e 04069000 76086022 0c60001a 52200a11 c1200000 38878e70 21806041 8258001f 00144005 80080202 02a082d8 108010e0 0841c20c 01e60803 e000c8a0 200126e0 |