On Target CXCR4_HUMAN 0.6492891/CHEMBL3894327
For the given ligand Icatibant, we have found in our database that, being scored 0.6492891, the most similar ligand is CHEMBL3894327. Check out the elaboration below.
| Icatibant (Given Ligand) | CHEMBL3894327 (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)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc6ccccc6c5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc7ccc(O)cc7)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N8CCC[C@H]8C(=O)N[C@@H](Cc9ccc(O)cc9)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N4)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 | 00018008 81807218 60100100 54110f00 000800a0 00000110 03000000 2200300c 00200a80 020f08c2 08300000 4003b000 1600989e 00a42001 80180480 021c0008 10000200 02000020 00c02008 004e2301 c0020140 38258e38 03004683 87500018 00000801 c0800001 40124400 90000000 0c000110 0086802b a00c4000 03412600 |