On Target HPGDS_HUMAN 0.2408377/CHEMBL572528
For the given ligand Rofecoxib, we have found in our database that, being scored 0.2408377, the most similar ligand is CHEMBL572528. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL572528 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)O)n5)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O |
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| 00000040 00801200 00020100 00910200 00100040 00000000 80000080 00000440 01800000 00080840 48002100 60009000 05008000 00010000 c0240002 00080008 0c020410 02000000 44018018 00002000 80010020 18040a00 01800000 08400019 00001400 80000000 00402000 40000420 00400200 00020002 04002000 00810430 | 08008002 00801882 00002102 00d10200 02000320 000b8000 10000450 01000ac1 00c03900 00080850 08202004 60109100 06008008 00200002 802203c0 10080004 00049100 52004001 0810800a 10202000 c5080402 08260340 60004010 0840001e 00044000 a0000200 02080808 400010e0 22408088 00660082 c700a000 60030420 |