On Target OPRK_HUMAN 0.45555556/CHEMBL4112470
For the given ligand Sitagliptin, we have found in our database that, being scored 0.45555556, the most similar ligand is CHEMBL4112470. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL4112470 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](CCCCN)C(=O)N3CCC(CC3)n4c(C)nnc4C |
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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 | 00010000 01003608 40100100 04010600 01080000 00000004 04800000 2000000c 00200980 000809c0 08300100 5001b800 0600800e 01002001 80020000 000c200c 00108000 02000000 00402008 00240201 00000100 382c2630 21000003 83500018 00000800 c0000000 00000004 10001000 0c000004 0006001b a0004080 00002600 |