On Target NOS1_HUMAN 0.35897437/CHEMBL3216543
For the given ligand Icatibant, we have found in our database that, being scored 0.35897437, the most similar ligand is CHEMBL3216543. Check out the elaboration below.
| Icatibant (Given Ligand) | CHEMBL3216543 (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 | Cl.Cl.N=C(Nc1ccc2N(CCN3CCCCC3)C(=O)CCc2c1)c4cccs4 |
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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 | 00014002 01003210 42100120 04010600 20040000 00002040 02000080 22001208 00400900 00080ad3 08380224 5001d080 04008892 00102820 00022040 000c0000 00249000 03000008 08200008 00000209 44121100 78048680 20012001 0250001a 02040800 85000002 40000010 90001084 08488318 0006000b 02000080 24c30600 |