On Target NS5B_HCV1B 0.39/CHEMBL3422106
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.39, the most similar ligand is CHEMBL3422106. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL3422106 (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)N1CCC(N(C)C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3sc(C(=O)O)cc32)C1 |
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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 | 000360c2 2d003c01 00100912 55810618 201e5121 0000c110 00002080 2009400c 20600900 100809e0 08300a04 4003a080 8800881a 00e0b801 204a3d20 0c0c000c 11134000 c280209c 06202400 00514213 00102100 788e8ef0 30904083 9250001e 0a842001 c4000009 08010000 90000044 0a044c06 00061453 c0020a40 00c11e20 |