On Target NS3_HCV1B 0.42/CHEMBL3954962
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.42, the most similar ligand is CHEMBL3954962. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL3954962 (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 | C=CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](CCC)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |
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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 | 10018002 01807400 00100b00 94010f10 000800c0 00100010 0000c00c 20003409 11000000 000101a0 01290000 4001f000 0e00801a 01112001 809a1408 000c110c 18860000 82000103 02402010 00001205 80000120 300f8e30 33004003 0250001c 00141400 00000000 08880000 90000005 08000204 01060813 a4024000 82002600 |