On Target IKKB_HUMAN 0.5/CHEMBL3114503
For the given ligand TCA, we have found in our database that, being scored 0.5, the most similar ligand is CHEMBL3114503. Check out the elaboration below.
| TCA (Given Ligand) | CHEMBL3114503 (Similar Ligand) |
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| C=C(C)C1C/C=C(C)\C(OC(C)=O)C1 | CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C(=O)O |
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| 00000000 81000000 00000100 80010300 00190000 00000800 02000000 08000402 00000000 00100008 40000000 40408000 00028000 00000000 00000400 00081008 00820000 00000020 20402010 00000001 00000020 00000a00 01008000 00000010 00201400 00000400 00404200 80000000 00000200 00000002 24020000 00800010 | 00050000 81000000 00000100 80010300 000c0040 00200000 82000080 00000402 01800000 01100840 40000000 40009000 14028008 00800000 00000402 00081008 00820400 02000020 2341a018 02002001 00000020 08000a00 01008000 00400010 00201400 80000000 0040e000 c0000400 00400200 8002000a 24020000 00000010 |