On Target BACE1_HUMAN 0.35815603/CHEMBL3896157
For the given ligand 94, we have found in our database that, being scored 0.35815603, the most similar ligand is CHEMBL3896157. Check out the elaboration below.
| 94 (Given Ligand) | CHEMBL3896157 (Similar Ligand) |
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| COc1ccccc1NC(=O)CSc3nnc(Cc2cccn2C)n3CCc4ccccc4 | COc1ccc(nc1)C(=O)Nc2ccc(F)c(c2)[C@]3(C)CS(=O)(=O)C4(CCOCC4)C(=N)N3 |
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| 0000400e 00304308 70100928 10118e02 810b1020 00080004 06800100 2c003200 00060510 125c4cc0 0928810c 42818900 00008006 00140000 01020441 000c640c 04048000 02000007 88600000 00260a41 40300000 1e818600 21b02000 81488410 22000000 c0000201 20204040 d00100c0 04208204 0006004b a6000280 22210654 | 100040e3 47200808 60104129 1a110f00 951e1220 08100814 008c0000 22201001 00c30000 030b48f3 08293004 4004c000 00018806 08941000 a1020440 021c110c 07440200 02018000 08608000 00220281 c4100020 18028604 21a12642 264c8014 00142400 c0000001 40224240 940200b1 04409314 40868023 a0040000 03014ea0 |