On Target PAR1_HUMAN 0.2905028/CHEMBL197523
For the given ligand Rofecoxib, we have found in our database that, being scored 0.2905028, the most similar ligand is CHEMBL197523. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL197523 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c4ccc(cn4)c5cccc(c5)S(=O)(=O)N)[C@H]12 |
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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 | 00052052 81800000 01004300 90b10710 000c1120 04010008 80000080 08000408 00000100 00108858 00002004 60009030 04028808 00800001 812a0482 820c110c 00820400 0a000004 06602000 10002003 c1000021 08108a00 31808020 08410018 01040401 82080000 08406640 c0008248 00404204 20060002 24020020 00010020 |