On Target MDR1_HUMAN 0.4722222/CHEMBL3354882
For the given ligand Indomethacin, we have found in our database that, being scored 0.4722222, the most similar ligand is CHEMBL3354882. Check out the elaboration below.
| Indomethacin (Given Ligand) | CHEMBL3354882 (Similar Ligand) |
|---|---|
| COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3 | COc1cc2CCN(CCCCc3cn(c4ccc(F)cc4)c5ccccc35)Cc2cc1OC |
|
|
|
|
|
|
| 0000800a 00000a08 20100188 50010718 00045060 00000000 060c2000 00001000 80500000 000808c0 08000004 4001b800 03008866 00608000 c10e0041 020c000c 18810000 83800004 01280400 00020200 40000000 18028f18 21804000 81500014 00042000 c0000100 08160000 10000000 04000204 0006084b 80042200 00020420 | 0000000a 47000a08 2018010a 52810610 00045120 80000010 02042000 22001000 00500880 000808c0 08300004 40018000 08004882 20601800 01000441 0804800c 00000200 82800020 00280500 00220201 40020100 18208018 20804800 81548014 00042000 c0000000 08324000 90000801 04000300 1006800a 20040200 00002620 |