On Target MDR1_HUMAN 0.4549763/CHEMBL2075043
For the given ligand Zanamivir, we have found in our database that, being scored 0.4549763, the most similar ligand is CHEMBL2075043. Check out the elaboration below.
| Zanamivir (Given Ligand) | CHEMBL2075043 (Similar Ligand) |
|---|---|
| CC(=O)N[C@@H]1[C@@H](/N=C(N)\N)\C=C(C(=O)O)/O[C@H]1[C@H](O)[C@H](O)CO | CCCC(C)C[C@@H](CC=C)C(=O)CC(O)C(C)C1OC(=O)C2C(CCCN2C(=O)C(=O)[C@]3(O)O[C@H]([C@H](CC)OC)[C@H](C[C@H]3C)OC)/C/1=C\[C@@H]4CC[C@@H](O)[C@@H](C4)OC |
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| 00000008 89047200 00100041 90010d01 003880c1 00000200 000b0180 38800c00 01000000 011004ca 80200010 4001c000 80028002 01880008 02001408 390b9008 30200804 82000140 51c16010 00082201 00000020 30140fb0 1f008081 0a10001c 00021481 80000c00 40c14000 90100121 08804240 00048401 2c060000 00804a00 | 00050040 89005000 00100100 80810700 803c00c0 00200800 02082800 28000442 04002000 011000a8 40202000 5101f000 1602802a 02880002 80081408 28289008 10a20000 80000040 73c12010 02002201 00000120 10040e10 17008080 0810001c 10201401 00000400 00c04200 b0000021 00000200 8004040b 24224000 00802a10 |