On Target PDE5A_HUMAN 0.325/CHEMBL34744
For the given ligand Sitagliptin, we have found in our database that, being scored 0.325, the most similar ligand is CHEMBL34744. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL34744 (Similar Ligand) |
|---|---|
| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | Cc1ccc(cc1)[C@H]2N3[C@H](Cc4c2[nH]c5ccccc45)C(=O)N(CC3=O)[C@@H]6CCN(Cc7ccccc7)C6 |
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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 | 0001800a 0080fe00 00100100 55810e10 00041220 00180012 01002400 2300300d 00400980 000909e0 08318004 4080b800 9e008882 0060a801 800204c0 02040184 00000200 02000027 00300408 00000a01 c0020100 382b8608 20804023 93400018 00143800 e0000001 08004000 d0000000 0e000184 0086001b 20044200 20006620 |