On Target MDR1_HUMAN 0.48/CHEMBL2074686
For the given ligand CBDCOOH, we have found in our database that, being scored 0.48, the most similar ligand is CHEMBL2074686. Check out the elaboration below.
| CBDCOOH (Given Ligand) | CHEMBL2074686 (Similar Ligand) |
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| C=C(C)[C@@H]1CC/C(C(=O)O)=C\[C@H]1c2c(O)cc(CCCCC)cc2O | CC(=O)O[C@H]1C[C@]2(C)CC[C@H](OC(=O)CCc3ccccc3)C(=C)[C@H]2[C@H](OC(=O)C)[C@@H]4CC(=O)C(=C1C4(C)C)C |
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| 00010001 43000008 20000102 00010202 00090000 40800000 02000081 08000602 01040900 00980842 08100000 40409840 0402800a 00a00000 00000400 00082008 00000000 02100020 00612010 00020a01 00000100 08000a80 01008000 00400010 00201000 84004400 04404200 80000000 00000002 00024002 24020000 00010400 | 00050040 81000008 00000100 80010300 00380000 00000800 02000080 08000402 01000800 00188848 48100000 40009000 04028008 02800000 00000404 00081008 00820000 02000120 32412018 0000a001 00000120 08001a80 01008040 00400010 00201c00 80000400 00406000 80000000 00000200 00020002 24020000 00800410 |