On Target XCT_HUMAN 0.18320611/CHEMBL5593128
For the given ligand Ibuprofen, we have found in our database that, being scored 0.18320611, the most similar ligand is CHEMBL5593128. Check out the elaboration below.
| Ibuprofen (Given Ligand) | CHEMBL5593128 (Similar Ligand) |
|---|---|
| CC(C)Cc1ccc(C(C)C(=O)O)cc1 | CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5ccc(F)cc5)[C@@]3(O)[C@H](O)C(CO)=C[C@H](C4=O)[C@@H]1C2(C)C |
|
|
|
|
|
|
| 00000000 00000000 00000100 00010200 00000040 00000000 00000000 00000000 00000900 00080840 08100000 40009800 01008000 00000000 40040000 00080008 08000000 02000000 00000000 00000001 00000100 08000a00 01000000 00400010 00000000 80000000 00000000 00000000 00000000 00020002 00002000 00000400 | 00050040 81000800 82900d00 82010300 00380050 00004810 02000040 28000402 00000140 01108848 40000200 40009000 14028028 03811000 00200404 02081008 00820000 02000300 21402010 00102001 00000020 08020a20 05008000 08400014 00201480 80202400 00484200 80001021 00000200 0002800a e4020000 02800210 |