SEQ2FUN

BioLiP

PDB CCD ID: MIG
Number of entries in BioLiP: 6
Chemical formula: C8 H17 N O5
InChI: InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
InChIKey: IBAQFPQHRJAVAV-ULAWRXDQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O
OpenEye OEToolkits 1.7.0C1C(C(C(C(N1CCO)CO)O)O)O
CACTVS 3.352OCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
CACTVS 3.352OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Name:(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol;
Miglitol
ChEMBL: CHEMBL1561
DrugBank: DB00491
ZINC: ZINC000004097426
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).