On Target TNFA_HUMAN 0.5391705/CHEMBL3805016
For the given ligand Icatibant, we have found in our database that, being scored 0.5391705, the most similar ligand is CHEMBL3805016. Check out the elaboration below.
| Icatibant (Given Ligand) | CHEMBL3805016 (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](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc7c[nH]c8ccccc78)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc9ccc(O)cc9)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O |
|
|
|
|
|
|
| 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 | 00070002 01007a08 20100100 45810e10 003c1280 00000000 02002000 2000200c 00600a80 000b08c2 08300004 4003b000 1e00983a 01402801 80180040 001c000c 10000000 02000001 00e02418 00020201 40000100 38358e38 23800083 93500018 00043801 80000000 48120000 10000000 0c000012 0006000b a00c4200 00802e20 |