On Target AOFA_HUMAN 0.30769232/CHEMBL3415789
For the given ligand Sitagliptin, we have found in our database that, being scored 0.30769232, the most similar ligand is CHEMBL3415789. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL3415789 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | C[NH+](CC#C)CC(=C)Cc1ccc(F)c(F)c1.OC(=O)C(=O)[O-] |
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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 | 00000000 00000200 00100100 02010600 00402000 00800010 00000001 20100400 04000800 001828c0 08300000 5000c000 00008002 00011000 00100000 000c0008 00001000 02100180 00000000 00100201 00000100 18000a00 04010000 00400010 00000001 80000000 80080000 10020001 00100000 0006800a 04000020 00000600 |