On Target CHLE_HUMAN 0.375/CHEMBL492233
For the given ligand Rofecoxib, we have found in our database that, being scored 0.375, the most similar ligand is CHEMBL492233. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL492233 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | O=C(NCc1ccccc1)O[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OC(=O)\C=C\c4ccccc4 |
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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 | 00040040 01c00801 00000508 80010700 002800c0 00000000 82000080 82001440 01802200 01000840 40200000 40008010 0c008800 02800100 00080002 001a9008 00820400 02000000 3141a818 00000001 80000020 18008e10 05000000 0840001c 00001400 80001002 00402000 c0200460 00400300 0006000b 84040000 00000210 |