On Target COMT_HUMAN 0.31800765/CHEMBL3799623
For the given ligand Dolutegravir, we have found in our database that, being scored 0.31800765, the most similar ligand is CHEMBL3799623. Check out the elaboration below.
| Dolutegravir (Given Ligand) | CHEMBL3799623 (Similar Ligand) |
|---|---|
| C[C@@H]3CCO[C@H]4Cn2cc(C(=O)NCc1ccc(F)cc1F)c(=O)c(O)c2C(=O)N34 | OC1=CN(C=CC1=O)c2cc(ccn2)c3cnn(Cc4ccccc4)c3 |
|
|
|
|
|
|
| 10000082 44c0fc08 60104100 d2010f90 0404102a 08128154 1c024000 82203401 02200301 805308d0 01290004 c0018000 80009806 08581100 00021c80 221e710c 02226200 82004106 00e00800 00160201 c0000021 383f8e10 23802081 6654013c 18152401 c0001082 08e00260 90240011 08440304 45068051 e40c0000 c0004200 | 00000006 40000a08 60004180 00010610 600c104c 04006004 04008000 00201000 02108100 800008c0 0002000c 60018000 80009824 00c00000 00060000 800c000c 08020048 82404004 00680000 00361000 40000020 1c038010 21800801 83700010 06152401 80000000 08008280 10040040 04000008 00060009 40040000 00604020 |