On Target NS5B_HCV1A 0.4753363/CHEMBL68034
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.4753363, the most similar ligand is CHEMBL68034. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL68034 (Similar Ligand) |
|---|---|
| CN6C[C@H](C(=O)N[C@]4(C)OC3(O)[C@@H]1CCCN1C(=O)[C@H](Cc2ccccc2)N3C4=O)C[C@@H]5c7cccc8[nH]cc(C[C@H]56)c78 | CC(C)COC(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)O)cc1F)C(C)C |
|
|
|
|
|
|
| 02010002 21c07e00 00100102 c5810710 000c1180 00038010 00023000 a000000c 00d00a80 000909e0 08302004 5001f000 be00881e 01602b03 80181048 183e100c 10800040 82080004 00602d18 00000201 40000120 382486f8 33800023 9350003c 30043c00 80081002 18800040 30a00021 0c400202 0006001b a0064200 00402620 | 00010000 01403a00 00100102 46050600 00000400 0001c010 00000000 2004000c 00900b80 000928c0 08300000 d001b800 0e008012 00203101 80000000 001e0408 010a0200 02080000 00000810 00000201 00000100 38260e30 01002003 c350001c 00000000 80001082 00000060 90200021 0c000200 0406800b e0004000 00402600 |