SEQ2FUN

BioLiP

PDB CCD ID: VOG
Number of entries in BioLiP: 4
Chemical formula: C10 H21 N O7
InChI: InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
InChIKey: FZNCGRZWXLXZSZ-CIQUZCHMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.6C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO
OpenEye OEToolkits 2.0.6C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO
ACDLabs 12.01C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
CACTVS 3.385OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O
Name:(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol;
voglibose
ChEMBL: CHEMBL476960
DrugBank: DB04878
ZINC: ZINC000003788703
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).