On Target MDR1_HUMAN 0.54913294/CHEMBL1
For the given ligand Aspirin, we have found in our database that, being scored 0.54913294, the most similar ligand is CHEMBL1. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL1 (Similar Ligand) |
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| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | COc1ccc2c(c1)OC[C@H]1[C@@H]2C2=C(OC1(C)C)C1=C(C(=O)C2=O)[C@H]2c3ccc(OC)cc3OC[C@H]2C(C)(C)O1 |
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| 00010000 81040008 2200010a 10010200 40483000 00000801 02040140 18001400 00002840 00580840 48100000 40409200 9402800a 00a00000 03000401 0008000c 00000000 02000000 02402098 0a022001 00000100 08000200 05008000 08400012 00001800 80002400 00524000 80000000 00014202 80020002 24020840 00000410 | 04050001 81040018 2200010b 8001030b 40081041 82800801 46040141 18000640 05042840 01d80840 48100000 40409240 8482802a 20a00000 13000403 0108b00c 00800404 22108004 214d6098 00022801 00000120 18000200 05008040 0e400412 00201c00 c0004400 00525000 80000020 00014342 00034002 26020040 00400410 |