On Target AA3R_HUMAN 0.41379312/CHEMBL4062581
For the given ligand chenyan1, we have found in our database that, being scored 0.41379312, the most similar ligand is CHEMBL4062581. Check out the elaboration below.
| chenyan1 (Given Ligand) | CHEMBL4062581 (Similar Ligand) |
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| Cc1ccc4c(c1)[nH+]c(/C=C/c2cccc3cccnc23)n4c6cccc(OCCCN5CCN(C)CC5)c6 | COc1cccc(CN2C(=O)N(CC3CC3)C(=O)c4c2nc5cc(OC)ccn45)c1 |
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| 04010002 80800a08 20104908 16050e10 00041064 06004000 a20080a0 08001408 00100104 000038c0 1120800c 40018000 00811802 0840a200 81060043 024c200c 08200408 02000004 00e00000 00420602 c0000000 38008038 a18000e1 83418010 00040001 c2000041 0840a040 40000200 0c418204 00460848 44040000 020002e0 | 0000002a 44801a08 20084108 02010700 000c1040 0000c040 02008002 00001008 06500100 800008e4 0d00800c 40018000 00009802 01c00000 012c00c1 000c100c 08800000 0200c00c 00680000 00060201 c0000180 18008070 21800041 81708014 00040000 c0200000 60008000 00040000 04004200 00460008 c00c0000 02200680 |