On Target MDR1_HUMAN 0.6226415/CHEMBL429041
For the given ligand MIe-421, we have found in our database that, being scored 0.6226415, the most similar ligand is CHEMBL429041. Check out the elaboration below.
| MIe-421 (Given Ligand) | CHEMBL429041 (Similar Ligand) |
|---|---|
| NC(=O)C3Oc1ccccc1C2CC23 | O=C(CCc1ccccc1)c2ccccc2OCCCCCCN3CCCCC3 |
|
|
|
|
|
|
| 04010000 01000018 6000010a 00010702 00081000 82000000 02000000 00000200 00110800 000808c0 08140000 4001d040 0480800a 01200000 11001001 00082008 00800000 a2028000 00402000 00020001 00000100 18040610 03000040 00400410 00000000 c0000000 00000008 00000000 00000302 00064002 00000000 00400400 | 04000000 01000808 2010010a 00010700 00081000 82020000 02000000 20000200 00000800 000808c0 08300000 50019060 04808002 00a00000 11000001 000a2008 00800000 22008000 00402008 00020201 00000100 18020210 01000000 00500414 00000800 c0000000 00000800 10000000 00000300 00064002 80000000 00002600 |