On Target RT_HIV1 0.34031415/CHEMBL4225865
For the given ligand Sitagliptin, we have found in our database that, being scored 0.34031415, the most similar ligand is CHEMBL4225865. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL4225865 (Similar Ligand) |
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| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | C=C(C)[C@@H]1CC[C@]2(CN(CCN(C)C)C(=O)CCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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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 | 00060000 01003800 00100302 44050600 00100000 00004000 80000080 2000040a 00000900 001808c0 08300000 40019800 04028002 00202000 00000402 00080008 00000400 02000020 02412000 00000201 01000100 38060e30 01008021 0250001c 01200000 80000000 00406000 d0000000 08400002 01060003 e4020000 00802e00 |