On Target TNFA_HUMAN 0.25/CHEMBL2337619
For the given ligand Rofecoxib, we have found in our database that, being scored 0.25, the most similar ligand is CHEMBL2337619. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL2337619 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCCCCCOC(=O)\C=C\c1cc(OC)c(O)c2c1C[C@@H]3[C@@H]4C=C(OC)C(=O)C[C@]24CCN3C |
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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 | 100d0000 4b000208 2010010a 00110700 20081021 c0002002 870c0180 2000060b 01800880 001888ca 48300000 5191d040 8402c01a 20a00000 03000423 020cb00a 20820600 82000060 2049a018 00020201 00100120 18200a90 0100c001 81540010 00201c00 80002001 04526008 d0000580 04404202 0026c50a 2c020000 00012710 |