On Target PR_HIV1 0.25619835/CHEMBL3645124
For the given ligand Sitagliptin, we have found in our database that, being scored 0.25619835, the most similar ligand is CHEMBL3645124. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL3645124 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC3OCO[C@@H]3C2)cc1 |
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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 | 00000010 01c05408 2110010a 01b10700 00281080 00028004 02000800 a8000004 00740a00 014809e0 08302000 60018000 00008002 02200101 81e80001 003a0008 10822000 02080000 11408800 01027603 80000100 18280c90 07100040 d9500058 02000000 8000100e 00800000 3420008c 04000600 2106001b 80a00000 00012670 |