On Target AA1R_HUMAN 0.32098764/CHEMBL3355971
For the given ligand Sitagliptin, we have found in our database that, being scored 0.32098764, the most similar ligand is CHEMBL3355971. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL3355971 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | CCC(=O)N1Cc2nc(nn2c3cc(C)ccc13)c4ccccc4 |
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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 | 0001c006 01200828 c0180100 00010e04 61020040 0010c006 10c08200 081a3441 00400904 20100840 0129002c 44009800 06008802 00108201 00060040 100c264c 08048000 02406022 08400000 40a21a01 40100001 5801a624 21006000 0040401e 00040010 c0000441 1c008028 000210a4 00408125 00661001 c4061a80 80100382 |