On Target NMDE2_HUMAN 0.248/CHEMBL151174
For the given ligand Rofecoxib, we have found in our database that, being scored 0.248, the most similar ligand is CHEMBL151174. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL151174 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1 |
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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 | 00000000 01804208 20120102 08110600 00000000 80000000 02000000 20000000 00100800 020a48c0 08700000 70018000 00000002 00240000 00000000 00000008 04000000 02000000 00000400 00020201 80000100 18000000 00800000 04500019 00000000 80000000 00004000 10000000 00000000 00060002 10000000 02010620 |