On Target MDR1_HUMAN 0.7017544/CHEMBL772
For the given ligand mi, we have found in our database that, being scored 0.7017544, the most similar ligand is CHEMBL772. Check out the elaboration below.
| mi (Given Ligand) | CHEMBL772 (Similar Ligand) |
|---|---|
| CCC4CN3CCc1c([nH]c2cccc(OC)c12)C3CC4/C(=C\OC)C(=O)OC | CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6 |
|
|
|
|
|
|
| 0001000a 4300c808 2010010a 51010f10 000c1020 80100002 070c2000 22003409 11400880 003908c0 08318004 50819000 9400889e 21e08000 03020461 020c010c 00824201 06000026 006c2418 00060201 40120100 18218a18 21804000 91500010 00142000 c0002001 08325000 90000080 04004306 00860002 24068200 20246630 | 0005000b 4900c808 a010050b 51010f10 003c1030 00304002 47042000 22003049 00402980 010908c8 08318004 50819000 1400c89a 01e18000 01024465 220c910c 00820200 06000126 13682408 00060a01 40120120 18238a38 25804000 99500014 00142400 c0002001 084a4200 900000a0 04000306 0086000a e0060200 22246e20 |