On Target PADI4_HUMAN 0.16574585/CHEMBL1910970
For the given ligand Geniposidic acid, we have found in our database that, being scored 0.16574585, the most similar ligand is CHEMBL1910970. Check out the elaboration below.
| Geniposidic acid (Given Ligand) | CHEMBL1910970 (Similar Ligand) |
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| O=C(O)/C2=C/O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3/C(CO)=C\C[C@H]23 | N=C(CF)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O.O=C(O)C(F)(F)F |
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| 00010040 81000000 00000801 80010101 80290041 00000001 00022880 08001402 01200000 015080e8 08000200 40419010 8402802a 02800000 02000404 012a9008 00800004 00000000 1145e010 00008a01 00100020 00001a90 0500a000 08100010 00201420 80200400 00405002 a4000020 00004240 00000000 0ea0a000 00000000 | 00018000 01003800 00100100 10010600 00000000 0000c040 00000080 2a001000 00200300 800108c3 00200000 4003b800 06008812 00600000 00000400 00180008 00000000 02000000 00100000 00000207 00020000 38068fa0 00000000 0270001c 00000000 c0000400 40004000 90000000 08000110 00060001 e0044000 00000200 |