On Target BACE1_HUMAN 0.35793358/CHEMBL3982458
For the given ligand MB, we have found in our database that, being scored 0.35793358, the most similar ligand is CHEMBL3982458. Check out the elaboration below.
| MB (Given Ligand) | CHEMBL3982458 (Similar Ligand) |
|---|---|
| CN(C)c3ccc2nc1ccc(=[N+](C)C)cc1sc2c3.[Cl-] | CN1C(=N)N[C@@](C)(CS1(=O)=O)c2sc3c(nccc3c2Cl)c4ccc(cc4)c5nccs5 |
|
|
|
|
|
|
| 0003000a 11800000 04000100 10000301 001c0060 00000000 00000080 18194008 00820200 10011843 00200a04 c0018200 00100810 01400000 0002a0c0 020c0004 10068800 02202098 0c614000 20410004 40000000 69088080 318001c0 88400000 02024002 84010008 41010000 000003c4 0018801c 00061c00 20040800 02c30400 | 0203a00a 14000000 06014900 12310e0c 081c0029 01001000 40020084 0a19fc88 00430500 137929f3 0920ae04 d0038e88 020008d8 00840061 a00221c1 021c8004 10025000 0206a098 0c200050 1047408d c0001d81 c8098180 30c00088 0acd0030 02a04102 8c100208 c0250040 90000e6c 0000431c 00061422 0c040802 83e30f60 |