Ligand |
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Ligand Name: DIMBOA-Glc | ||
Ligand Type: saccharide | ||
Ligand ID: COVPDB561 | PubChem: 5288516 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H](C(=O)N2O)Oc(c23)cc(cc3)OC | ||
Standard InChI: InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1 | ||
Molecular Formula: C15H19NO10 | Mol. Weight: 373.1009 | logP: -2.0476 |
HBD: 5 | HBA: 10 | |
#Rotatable Bonds: 4 | TPSA: 158.38 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | P49235 (HGGL1_MAIZE) | Zea mays (Maize) | 1H49 | BGC |
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SHOW |