On Target RT_HIV1 0.44032922/CHEMBL3683702
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.44032922, the most similar ligand is CHEMBL3683702. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL3683702 (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 | COC(=O)N[C@H](C(=O)NCC(F)CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 |
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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 | 00000012 09803200 01100100 05b10600 00081090 0001a0c0 00000000 2100000c 00c40a00 804808c0 08302004 6001b000 0c008002 00c02001 80680040 001e0008 10022000 02080000 00402018 00006601 c0000100 38240e30 23100001 db700058 02000800 a0000006 00000020 5000006c 0c000680 2606000b a0004000 00012670 |