On Target PA_INFA 0.3105263/CHEMBL278402
For the given ligand Sitagliptin, we have found in our database that, being scored 0.3105263, the most similar ligand is CHEMBL278402. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL278402 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | O=C(O)C(=O)/C=C(\O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 |
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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 | 00008000 01000000 00900902 00110600 00100000 00000000 000001c0 22001402 15100840 001808c2 08300200 5001d800 82028826 00200000 00000404 00080008 00004000 02000000 00450000 00000201 00000100 18008b80 01008040 00500010 00202000 c0000000 00440000 90000000 04004100 00060002 34040000 00030e00 |