On Target AA2AR_HUMAN 0.22181818/CHEMBL4089092
For the given ligand yong1, we have found in our database that, being scored 0.22181818, the most similar ligand is CHEMBL4089092. Check out the elaboration below.
| yong1 (Given Ligand) | CHEMBL4089092 (Similar Ligand) |
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| [H][C@@]12/C(CO)=C\[C@H](OC)[C@]1([H])/C(C(=O)OC)=C\O[C@H]2OC3OC(CO)C(O)C(O)C3O | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCCCCCCNC(=O)c4ccc(cc4)c5sccc5c6cccc(c6)C(F)(F)F)ncnc23 |
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| 00050040 81000000 00000801 90010101 80290041 00000801 00022880 28011402 01200000 015080e8 48000200 40419011 8402802a 02800000 02000405 012a9008 00820004 00000100 1145e010 00008a01 00100020 00001a90 0500a000 08100010 00201420 80201400 00405002 a4000020 00004240 00000000 1ea0a000 00000010 | 0001200a 01c01801 80180900 c8090620 203800e1 0000e010 40048c80 2a101888 00400100 018008f1 0c30828c 40019286 8400981a 03a80101 200a3481 101ee00c 00260020 02005008 1dc02000 90201209 80180020 580686d0 37804044 0c50001c 12800402 c4100002 00010600 900002f5 00024308 00460001 e03c1000 00c102c0 |