On Target ACE2_HUMAN 0.3206522/CHEMBL402987
For the given ligand Sitagliptin, we have found in our database that, being scored 0.3206522, the most similar ligand is CHEMBL402987. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL402987 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)[C@@H](S)CCc1ccccc1 |
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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 | 00012000 01005000 00100102 00110600 00000080 00000000 80000000 20000004 00100980 020a08c0 08300000 4001b800 06008002 00240000 80080000 00080008 10020000 02000000 04400008 10000201 20000100 18200e00 13000140 85500018 00000800 80000000 00000000 10000040 04004000 00060013 20004000 03412600 |