On Target 5HT1B_HUMAN 0.3115942/CHEMBL188486
For the given ligand Rofecoxib, we have found in our database that, being scored 0.3115942, the most similar ligand is CHEMBL188486. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL188486 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CN(C)CCN(Cc1ccc(cc1)c2ccc(CNCCc3ccccc3)cc2)C(=O)\C=C\c4ccccc4.OC(=O)C(F)(F)F |
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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 | 00002000 0080a000 00100100 04010600 00000000 00000000 80100080 02001408 01800180 00490840 08200000 40008000 80008802 00012000 00000402 00080008 20020400 02000100 04018000 10801204 80000000 38208e00 10000000 83400018 00000000 c0000000 00482200 d0010040 0c404100 00060003 24040000 00000600 |