On Target BACE1_HUMAN 0.4477612/CHEMBL1258003
For the given ligand Sitagliptin, we have found in our database that, being scored 0.4477612, the most similar ligand is CHEMBL1258003. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL1258003 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC2(CC2)c3ccn(CC(C)(C)C)n3 |
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| 00010040 01002408 40102102 02010e00 01100600 00100016 08800800 28002401 00100900 001929e0 08310120 d4019800 0c009006 04201000 00020800 0008200c 0100d200 020000a2 00400000 00b61a01 00000103 38232600 21000001 83500418 00010010 c0000400 c0400000 90021001 0c344004 00068013 84200080 00400e00 | 0000001c 01005408 20100102 02010e00 01084080 80000012 00000000 20003604 00100880 001d29e0 08318028 d0118040 08009002 01a01000 00080400 000c200c 10000000 06800000 00400000 00220241 80000100 18298610 07800841 83500418 00206000 c0000000 80320000 90000001 05300104 00068013 24088000 0000a628 |