On Target PA_INFA 0.28/CHEMBL4473580
For the given ligand remdesivir triphosphate, we have found in our database that, being scored 0.28, the most similar ligand is CHEMBL4473580. Check out the elaboration below.
| remdesivir triphosphate (Given Ligand) | CHEMBL4473580 (Similar Ligand) |
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| N#CC3(c1ccc2c(N)ncnn12)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O | CCOC(=O)c1cn2c(c(O)c1=O)C(=O)N(CCOC)C[C@@H]2C(c1ccccc1)c1ccccc1 |
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| 0000080a 81004009 e2503512 19010f20 052c80f4 8012c024 0381c000 00200a80 10404b00 010c0040 08188004 4a839040 00001802 02b30020 000e0040 020eaa0c 094b8820 0680000e 01602008 00665203 40120120 3c008860 a5801cc6 08700110 40000400 80002100 0e0880c0 900508a0 0040020e 00c6cc16 41400280 6220ac82 | 0000001a 4880fe08 70104100 50050e10 040410ba 0012c144 0c000000 23203401 12300900 801908d8 08390004 40018000 80009906 08510000 001a1c80 2a0c210c 10024000 82084006 00210000 00060201 c0000321 382f8e50 32802000 c350001c 08152400 e0002080 08c80060 d0040001 0c440384 0406005b e40c0000 40004600 |