On Target PLP_SARS 0.24774775/CHEMBL213543
For the given ligand Sitagliptin, we have found in our database that, being scored 0.24774775, the most similar ligand is CHEMBL213543. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL213543 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |
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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 | 01030000 0140b000 00100100 04010600 00000000 0001c810 02100080 28000408 01a00300 001088c0 40200000 4003b000 0e028002 00012001 80000400 021a0008 20020000 02080500 20012890 00001201 00002000 38040fb0 00008003 02500018 00001400 8800ac02 00484000 90200120 08000200 00060001 ec004000 02802210 |