On Target NK1R_HUMAN 0.5529954/CHEMBL250596
For the given ligand Sitagliptin, we have found in our database that, being scored 0.5529954, the most similar ligand is CHEMBL250596. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL250596 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | C[C@@H](O[C@@H]1CN(C[C@H]1c2ccc(F)cc2)C(=O)N3CCn4c(C3)nnc4C(F)(F)F)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
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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 | 00000050 010d7608 40102100 82310e00 011000d1 00104016 08800c04 08006447 00000980 003a08f0 0a311120 44008802 0000b006 05091000 000e1808 020c200c 3820c008 020000a2 04c00040 40341a01 00010121 38372420 33000080 83400418 00010412 c0002400 40c80000 90021001 0c045204 0006801b c4380084 02000e00 |