On Target AA3R_HUMAN 0.3375796/CHEMBL364036
For the given ligand D9-1, we have found in our database that, being scored 0.3375796, the most similar ligand is CHEMBL364036. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL364036 (Similar Ligand) |
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| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | CCCN1C(=O)N(Cc2ccccc2)c3nc4[nH]c(cn4c3C1=O)C5CC5 |
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| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 0000002a 00801a00 00080100 02810710 04080040 0000c040 0000a004 00001000 06500900 800808e0 2d00800c 40018800 00009800 01d00800 002a0080 080c100c 08800000 0600c000 00400408 40000001 80020580 18008050 21800041 81700114 00040000 c0200200 68008000 00040004 04004004 00460008 c00c0000 22000680 |