On Target ACE2_HUMAN 0.49429658/CHEMBL1240682
For the given ligand Dihydroergotamine, we have found in our database that, being scored 0.49429658, the most similar ligand is CHEMBL1240682. Check out the elaboration below.
| Dihydroergotamine (Given Ligand) | CHEMBL1240682 (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)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O |
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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 | 04070002 01007a08 20100100 45910e10 041c12c0 00000010 02002020 2000200c 00600b80 020f0ac2 28308004 5003b800 1e00981a 01542801 811a0040 001c000c 10000000 0e000001 00e02418 40420301 60000d00 38358e38 23800283 97500018 00043801 80000200 48120000 10000100 0c000016 0046002b e00c4200 23812e20 |