On Target PDE5A_HUMAN 0.45/CHEMBL349299
For the given ligand Dolutegravir, we have found in our database that, being scored 0.45, the most similar ligand is CHEMBL349299. Check out the elaboration below.
| Dolutegravir (Given Ligand) | CHEMBL349299 (Similar Ligand) |
|---|---|
| C[C@@H]3CCO[C@H]4Cn2cc(C(=O)NCc1ccc(F)cc1F)c(=O)c(O)c2C(=O)N34 | CN1C2=C(CN(C2c3ccc4OCOc4c3)C(=O)OCc5ccncc5)C(=O)c6ccccc16 |
|
|
|
|
|
|
| 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 | 1100000a 47c0d808 20004108 90010e10 00041022 0018c020 02044400 03003001 02600305 c00808c0 49218004 40818000 8000d882 20610000 010204c1 0a3e818c 00022001 82004407 00280880 00020a01 c0060201 18018c18 20804000 e056841c 40140000 e0200002 08b20060 e0240000 03400384 06060043 c0040000 e0014620 |