On Target MDR1_HUMAN 0.49327356/CHEMBL2074676
For the given ligand Icatibant, we have found in our database that, being scored 0.49327356, the most similar ligand is CHEMBL2074676. Check out the elaboration below.
| Icatibant (Given Ligand) | CHEMBL2074676 (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)NC(=O)[C@@H]1CN(Cc2oc3ccccc3c2)CCN1[C@@H](Cc4ccccc4)[C@@H](O)C[C@@H](Cc5ccccc5)C(=O)NC6[C@H](O)Cc7ccccc67 |
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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 | 00050088 01a05600 00180902 14010600 041802c0 00000000 00000000 62201200 00004980 000909e0 08300030 4001b000 4e008c9a 0020308b 801c04a0 000e0008 18004000 02000000 00402018 00000201 80020100 38248638 03004063 83580018 08801820 c0000000 04104014 98000000 0c002102 0106081b 20064000 00002e00 |