On Target BACE1_HUMAN 0.57608694/CHEMBL3354252
For the given ligand PSPP 30, we have found in our database that, being scored 0.57608694, the most similar ligand is CHEMBL3354252. Check out the elaboration below.
| PSPP 30 (Given Ligand) | CHEMBL3354252 (Similar Ligand) |
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| O=C(NC2CCC1(CCCC1)CC2)c4ccc(c3ccccc3)cc4 | CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccccc3)C2)C1=O |
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| 00002000 01001800 00100100 40010600 00000000 00000000 00000000 22001000 00000100 000008c0 00200000 40018000 80008802 00000000 00000400 00000000 00020000 02000000 06002000 10000201 00000000 18068610 10000000 0050001c 00000000 c0000000 00000000 90000040 00004100 01060001 a0060000 00000200 | 00010000 01001800 00100100 00010e00 00000000 00000000 00000004 22003000 00000640 000008c2 00200000 4001b000 0400980a 00002000 00000400 00100000 00010000 02002000 02002000 00000201 00010100 38078630 00000000 0050001c 00010000 c0000000 40000000 90000000 08000110 00060001 a00e4000 00000200 |