On Target BACE1_HUMAN 0.46969697/CHEMBL508218
For the given ligand Pimecrolimus, we have found in our database that, being scored 0.46969697, the most similar ligand is CHEMBL508218. Check out the elaboration below.
| Pimecrolimus (Given Ligand) | CHEMBL508218 (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 | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N |
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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 | 00070040 01007600 00100100 84010700 001c0080 00200000 00000000 2000004c 00202880 000a09c0 08300000 4003b000 1e00803a 01882001 80181008 000f9008 10a20000 02000101 02c02018 00000201 00000120 383c0e10 17000083 8b500018 00001c01 80000000 00800200 10000021 0c000202 0106001b 20024000 00802e00 |