On Target NS3_HCV1A 0.58798283/CHEMBL3983555
For the given ligand Daclatasvir, we have found in our database that, being scored 0.58798283, the most similar ligand is CHEMBL3983555. Check out the elaboration below.
| Daclatasvir (Given Ligand) | CHEMBL3983555 (Similar Ligand) |
|---|---|
| COC(=O)N[C@H](C(=O)N1CCC[C@H]1c6ncc(c5ccc(c4ccc(c3cnc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc4)cc5)[nH]6)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 01003000 00100d00 14010e10 00000040 0011801a 01400000 20082049 00800300 000008d0 00218000 4001b800 0e008082 08102000 00020000 801e010c 00028000 06082022 04000018 50000a01 00200000 38070e10 31002001 02500018 00140001 80080002 00000208 100010e0 08014204 00e60801 e00048a0 20002200 | 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 |