Covpdb









Ligand
Ligand Name:   Arcabose
Ligand Type:   D-saccharide
Ligand ID:   COVPDB507 PubChem:   449167
Synonym(s):  
  •   1xd1
  • 6sa
  • db03971
  • 4,6-dideoxy-4-{[(4r,5r)-4-[(4-o-alpha-d-erythro-hexopyranosyl-alpha-d-erythro-hexopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-lyxo-hexopyranosyl-(1->4)-alpha-d-xylo-hexopyranosyl-(1->6)-beta-d-arabino-hexopyranose
  • 4,6-dideoxy-4-{[(1s,4r,5r,6s)-4-[(4-o-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-glucopyranosyl-(1->4)-alpha-d-glucopyranosyl-(1->6)-beta-d-glucopyranose
show 4 synonym(s)
DrugBank:   DB03971 ChEMBL:   CHEMBL1230517
Canonical SMILES:   O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO[C@@H]2[C@H](O)[C@@H](O)[C@@H]([C@H](O2)CO)O[C@H]3O[C@H](C)[C@H]([C@H](O)[C@H]3O)N[C@H]4C=C(CO)[C@H]([C@H](O)[C@H]4O)O[C@@H]5[C@H](O)[C@@H](O)[C@@H]([C@H](O5)CO)O[C@@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO
Standard InChI:   InChI=1S/C37H63NO28/c1-8-15(19(46)26(53)35(59-8)65-31-12(5-41)62-34(28(55)23(31)50)58-7-14-18(45)20(47)25(52)33(57)60-14)38-10-2-9(3-39)30(22(49)16(10)43)64-37-29(56)24(51)32(13(6-42)63-37)66-36-27(54)21(48)17(44)11(4-40)61-36/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-/m1/s1
Molecular Formula:   C37H63NO28 Mol. Weight:   969.35364 logP:   -12.9161
HBD:   20 HBA:   29
#Rotatable Bonds:   15 TPSA:   479.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
4-alpha-glucanotransferase, chloroplastic/amyloplastic Q06801 (DPEP_SOLTU) Solanum tuberosum (Potato) 6LX1 ASO
-
-
SHOW