On Target BTK_HUMAN 0.21782178/CHEMBL5872185
For the given ligand Aucubin, we have found in our database that, being scored 0.21782178, the most similar ligand is CHEMBL5872185. Check out the elaboration below.
| Aucubin (Given Ligand) | CHEMBL5872185 (Similar Ligand) |
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| OC/C2=C/[C@@H](O)[C@@H]3/C=C\O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]23 | CC#CC(=O)N1CCC2(CC(C3(NC(=O)c4cn[nH]c4)C=C(N)C(OC(C)C)=CC3)C2)C1 |
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| 00000040 81000000 00000801 80010101 80290041 00000001 00022880 28010402 00200000 015000e8 08000200 40418010 80020002 02800000 02000404 012a9008 00800004 00000000 1141e010 00008201 00100020 00001090 0500a000 08100010 00201420 80201400 00404002 a4000020 00004240 00000000 14a00000 00000000 | 00400210 4d049008 20120080 80000611 40402011 00100811 02184000 28101430 00000000 001000c8 48240000 40418200 80028002 00010010 02103400 000c030c 20020000 02000142 60406090 00220a01 00002000 10040e30 42898800 0014011a 00001440 80008c00 00484200 90040300 00005200 000e0401 ac020020 c0000230 |