Ligand |
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Ligand Name: (S)-(methyl 4-nitrophenyl [(R)-methoxy(phenyl)methyl]phosphonate) | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB935 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: c1ccccc1[C@H](OC)[P@](=O)(OC)Oc2ccc([N+]([O-])=O)cc2 | ||
Standard InChI: InChI=1S/C15H16NO6P/c1-20-15(12-6-4-3-5-7-12)23(19,21-2)22-14-10-8-13(9-11-14)16(17)18/h3-11,15H,1-2H3/t15-,23+/m1/s1 | ||
Molecular Formula: C15H16NO6P | Mol. Weight: 337.07153 | logP: 4.1583 |
HBD: 0 | HBA: 6 | |
#Rotatable Bonds: 7 | TPSA: 87.9 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Lipase 1 | P20261 (LIP1_DIURU) | Diutina rugosa (Yeast) (Candida rugosa) | 3RAR | IAN |
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