On Target OPRM_MOUSE 0.31736526/CHEMBL186041
For the given ligand Rofecoxib, we have found in our database that, being scored 0.31736526, the most similar ligand is CHEMBL186041. Check out the elaboration below.
| Rofecoxib (Given Ligand) | CHEMBL186041 (Similar Ligand) |
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| CS(=O)(=O)c3ccc(/C2=C(c1ccccc1)/C(=O)OC2)cc3 | CCNC(=O)c1ccc(cc1)C(=C2CC3CCC(C2)N3Cc4cocc4)c5ccc(cc5)S(=O)(=O)C |
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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 09a01a00 001a0300 40910600 00000001 00000010 80080080 23201410 00024100 001808c8 0c202000 70018800 c0028c02 00010000 80204402 20000000 04000400 02030040 40002000 00002201 81000000 18068616 00808020 0858001d 01000004 e0004000 00406010 d8801020 00400180 00060c03 a4060000 00012620 |