On Target ADA2A_HUMAN 0.3963964/CHEMBL260374
For the given ligand D9-1, we have found in our database that, being scored 0.3963964, the most similar ligand is CHEMBL260374. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL260374 (Similar Ligand) |
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| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | S=C(NC1CCCCC1)N2CCC(CC2)c3cnc[nH]3 |
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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 | 00000002 01000000 00100000 00800c10 04000240 00000000 00002024 20002000 00400d00 00080080 20208000 50010800 00001002 00100800 00020000 000c0004 00010000 06000000 02002048 40000201 20000500 10010010 21000000 00100010 00050000 00000200 00000000 10000100 00200004 00460008 40080000 20010208 |