On Target GASR_HUMAN 0.45192307/CHEMBL452991
For the given ligand sinomenine, we have found in our database that, being scored 0.45192307, the most similar ligand is CHEMBL452991. Check out the elaboration below.
| sinomenine (Given Ligand) | CHEMBL452991 (Similar Ligand) |
|---|---|
| CO/C4=C/C2C3Cc1ccc(OC)c(O)c1[C@]2(CCN3C)CC4=O | CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5c4[C@@]2(CCN3C)[C@H]1O5 |
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| 00010000 4b000208 2010010a 00110700 00081020 c0000002 070c0180 20000603 01000880 001888ca 08300000 5181d040 8402c01a 20a00000 03000421 020ca008 20800200 82000060 00492008 00020201 00000100 18200290 0100c000 81540010 00200800 80002001 04524000 90000180 04004202 0006c40a 2c020000 00012600 | 04003001 43005208 2010050a 80010702 001810e0 c2000002 42001000 20008241 00200880 010818c0 08300000 5083c340 00808002 22a00080 112c1029 120c2018 18800200 a2028000 07482000 00020a01 00000100 18240630 13004040 8350041c 20000400 c0000001 00920200 10000001 04010302 0006c80b 00020000 00002e00 |