On Target NS3_HCV1A 0.3852459/CHEMBL3973032
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.3852459, the most similar ligand is CHEMBL3973032. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL3973032 (Similar Ligand) |
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| 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@H](NC(=O)C1CCCNC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |
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| 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 | 080180c2 01805c00 00104100 02010610 00041201 00000010 30002000 23001000 00400800 00080fe0 08300004 50019a00 0e008876 00001004 00000400 080c000c 03010200 03000004 00200410 00000201 c0000500 18068720 21800000 3050001c 00043000 e0000200 08040000 d0800181 00400180 01068013 a4040000 00022600 |