On Target NS3_HCV1A 0.34/CHEMBL3914973
For the given ligand Sitagliptin, we have found in our database that, being scored 0.34, the most similar ligand is CHEMBL3914973. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL3914973 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | COc1ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1cccc(F)c1 |
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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 | 000000c0 01000c08 2010010a 02010600 00001201 00020010 12040000 23001200 00000800 0008afc0 08300000 50009200 0c008842 01201000 01000411 08082008 03000200 02000000 00000410 00020201 00000102 18028600 01002000 32400014 00001000 e0000000 88320800 d0800001 00000380 00068012 a2040010 00002600 |