On Target MDR1_HUMAN 0.3297491/CHEMBL2335006
For the given ligand test molecule, we have found in our database that, being scored 0.3297491, the most similar ligand is CHEMBL2335006. Check out the elaboration below.
| test molecule (Given Ligand) | CHEMBL2335006 (Similar Ligand) |
|---|---|
| COc1ncnc(OC)c1C(=O)Nc3nc(C(F)(F)F)c(c2ccccc2)s3 | COc1cccc(-c2csc(-c3ccc(Oc4ccc(CN5CCc6cc(OC)c(OC)cc6C5)cc4)nc3)n2)c1 |
|
|
|
|
|
|
| 10034043 01000019 2018098c 00010610 81000000 10024508 4040c580 18129409 00000900 a0000873 48302a04 50008600 08008008 00210001 21022803 801c200c 00820000 0200408c 04400010 c0a60000 84020001 08082e80 60a00c40 10414828 02041081 cc082980 00220a00 b0000744 0000430c 044e2001 c4005000 8c210380 | 0002000a 46010018 20104908 10810610 80041020 80000140 46040480 0a79d0c8 00000d80 10084853 08200a04 50008210 040048b2 20280001 21022501 001c800c 10022200 020030a4 04282018 00423205 41420000 18308080 a0804000 81458010 02841002 cc100100 08324000 90303244 0440432c 0426100a 20141c00 16010600 |