On Target AA2AR_HUMAN 0.368/CHEMBL1950653
For the given ligand Pimecrolimus, we have found in our database that, being scored 0.368, the most similar ligand is CHEMBL1950653. Check out the elaboration below.
| Pimecrolimus (Given Ligand) | CHEMBL1950653 (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 | CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@@H](Cc5ccccc5)C(=O)OC)cc4)nc23 |
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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 | 0005000a 01c05a09 80180100 88090720 021800e8 0000c000 0000ac00 20100804 00400980 218808f0 0c30800c 4001f804 16009032 01880300 80081088 381fc00c 10220020 82004000 19c00008 80a01201 80080120 5c200e70 378048c0 8d50081c 50000c01 c0080002 00800200 10000071 04000209 0046180b e0285000 00002ec0 |