Ligand
Ligand Name:   DIMBOA-Glc
Ligand Type:   saccharide
Ligand ID:   COVPDB561 PubChem:   5288516
Synonym(s):  
  •   dimboaglc
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
-
-
SHOW