On Target SCN9A_HUMAN 0.4235808/CHEMBL403809
For the given ligand Sitagliptin, we have found in our database that, being scored 0.4235808, the most similar ligand is CHEMBL403809. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL403809 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | Fc1ccc(F)c(C[C@@H](NC(=O)C2(CC2)C(F)(F)F)C(=O)NCc3nc4cccnc4n3C5(CC5)c6ccccc6)c1F |
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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 | 00000002 01803a00 00184900 16010e00 000c0660 0010c010 00008000 2804300d 90500980 000938c0 0831800c d001b800 06009802 01903000 800e00c0 020c0504 09081208 02008002 80680008 00820a01 c0000105 38238630 21800041 8358011c 00110800 c0000400 80008060 90000001 0c300004 0046880b e00c4000 00006680 |