On Target ADA2A_HUMAN 0.43255815/CHEMBL40650
For the given ligand Captagon, we have found in our database that, being scored 0.43255815, the most similar ligand is CHEMBL40650. Check out the elaboration below.
| Captagon (Given Ligand) | CHEMBL40650 (Similar Ligand) |
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| CC(Cc1ccccc1)NCCn2cnc3c2c(=O)n(C)c(=O)n3C | COc1cccc2[C@@H]3CN(CCN4C(=O)Nc5c(sc6cccnc56)C4=O)C[C@@H]3CCc12 |
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| 0000002a 00801c00 00180100 42010700 00180040 0000c080 00008000 00000000 06600980 800808e0 0c30900c 40008000 00009002 01400000 00280880 000c000c 00800000 02088000 00400000 00000201 80000100 38200040 21800041 83700014 00040000 c0200000 60000000 00040000 0c004000 00460012 c0080000 00000e80 | 0003003a 73000608 2010411a 42010600 001c1060 c000d832 02008400 20000201 06700981 c00808e0 0d305a0c 408380c0 00009802 20e00000 093c09e1 020c200c 38000200 62008080 08682000 00830201 c0000100 7820c0b8 218040c1 83700410 0e04c000 c4000009 24018000 10040004 0c004b02 0046401a 400c8000 00c13e80 |