On Target CXCR4_HUMAN 0.25/CHEMBL2180085
For the given ligand Ibuprofen, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL2180085. Check out the elaboration below.
| Ibuprofen (Given Ligand) | CHEMBL2180085 (Similar Ligand) |
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| CC(C)Cc1ccc(C(C)C(=O)O)cc1 | NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](CCCNC(=N)N)NC1=O.OC(=O)C(F)(F)F |
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| 00000000 00000000 00000100 00010200 00000040 00000000 00000000 00000000 00000900 00080840 08100000 40009800 01008000 00000000 40040000 00080008 08000000 02000000 00000000 00000001 00000100 08000a00 01000000 00400010 00000000 80000000 00000000 00000000 00000000 00020002 00002000 00000400 | 00010000 01003208 20100100 04010e00 00000000 00000000 02000000 2000200c 00200a80 000808c2 08300000 4003b000 06009012 00002001 80000000 001c0008 00000000 02000000 00000008 00020205 00000100 38250e28 00000003 83500018 00000800 80000000 40120000 90000000 0c000010 0006000b a0084000 00002600 |