On Target ADRB2_HUMAN 0.33584905/CHEMBL3973386
For the given ligand Pimecrolimus, we have found in our database that, being scored 0.33584905, the most similar ligand is CHEMBL3973386. Check out the elaboration below.
| Pimecrolimus (Given Ligand) | CHEMBL3973386 (Similar Ligand) |
|---|---|
| CC[C@@H]3/C=C(C)\C[C@H](C)C[C@H](OC)[C@H]4O[C@@](O)(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@H](Cl)[C@H](OC)C2)C(C)[C@@H](O)CC3=O)[C@H](C)C[C@@H]4OC | COc1cc(NC(=O)OCCN(C)[C@@H]2CC[C@H](CC2)OC(=O)[C@@](O)(C3CCCC3)c4ccccc4)c(Cl)cc1CNC[C@H](O)c5ccc(O)c6NC(=O)C=Cc56 |
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| 000f0040 81005000 00900100 80810700 823c00c0 00200800 02002840 28000442 04002040 011000a8 40202000 5001f000 1602802a 02880002 80081408 28289008 10a20000 80000000 33c02010 00002201 00000120 10040f10 17008080 0810001c 10201401 08000400 00c04000 b0000021 00800200 0004000b 24224000 00822a10 | 0001804a 89400808 6010430a c0010700 101c10c0 0000c164 06000000 2a201440 06400b84 401808e8 0c382004 4001d800 9700880e 08f08200 c11c1441 001cb00c 18868200 02800400 0e602800 00622601 40010120 18208f39 37802002 89541010 00002400 c0080402 00520240 900000b1 04008302 81060003 64062000 00020e20 |