On Target BACE1_HUMAN 0.646789/CHEMBL1773545
For the given ligand Icatibant, we have found in our database that, being scored 0.646789, the most similar ligand is CHEMBL1773545. Check out the elaboration below.
| Icatibant (Given Ligand) | CHEMBL1773545 (Similar Ligand) |
|---|---|
| N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3cccs3)C(=O)N[C@@H](CO)C(=O)N5Cc4ccccc4C[C@@H]5C(=O)N7[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@H]6CCCC[C@@H]67 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N |
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| 00058008 01807200 00100100 14010e00 001800a0 00000010 01000080 2200300c 00200a80 004908c2 08300200 c003b080 1600b89a 01202003 82182480 121c4008 10000202 02000028 02c06008 00000205 80020900 783d8eb0 03004083 83500018 02402801 c6000005 40004000 90000204 0c000110 0086000b b80e4000 00c12e10 | 04070002 01007200 00100100 05810e10 041802c0 00000000 00002080 2000200c 00600b80 004b0ac2 28308200 d003b880 1e00b032 01102801 831a2000 101c400c 10000002 0e000009 00c04018 40000205 20000d00 783d0ea0 23000083 93500018 02443801 86000204 40000000 10000304 0c000016 0046000b f8084000 20c12e10 |