On Target MDR1_HUMAN 0.46601942/CHEMBL2074725
For the given ligand ascorbat, we have found in our database that, being scored 0.46601942, the most similar ligand is CHEMBL2074725. Check out the elaboration below.
| ascorbat (Given Ligand) | CHEMBL2074725 (Similar Ligand) |
|---|---|
| O=C1OC(C(O)CO)/C(O)=C1/[O-] | C[C@H]1O[C@H](C[C@H](OC(=O)C)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C |
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| 00040008 80000000 00000500 10010200 00600040 00000000 02000280 28001400 01000000 01500000 00000200 4000c000 88028000 00000000 00000004 000a8008 00020010 00000000 01450010 00002001 00000020 00000a80 05008000 08000010 00001400 00000400 00400000 80000020 00014200 00000008 14000000 00800010 | 00000040 81000000 00000500 00810300 80280040 00000800 00002880 08000440 01202000 01100028 40000000 40008000 00028000 02800000 00000400 00289008 00820010 00000000 1341a010 00002001 00100020 10000a80 05008000 08000010 00001400 00000400 00404000 a4000020 00000200 0100000a 24a20000 00800010 |