On Target PADI4_HUMAN 0.13761468/CHEMBL1910970
For the given ligand Betulinic acid, we have found in our database that, being scored 0.13761468, the most similar ligand is CHEMBL1910970. Check out the elaboration below.
| Betulinic acid (Given Ligand) | CHEMBL1910970 (Similar Ligand) |
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| C=C(C)[C@@H]4CC[C@]5(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]2[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC[C@]23C)[C@@H]45 | 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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| 00010000 01000000 00000000 00000000 00080000 00000000 00000000 00000400 00000000 00108008 00000000 40001000 04008008 00800000 00000400 00080008 00000000 00000000 02402000 00000001 00000000 00000a00 01000000 00000010 00000000 00000000 00000000 80000000 00000000 01000000 24020000 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 |