BioLiP

PDB

BioLiP

PDB CCD ID:

DGJ

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1

InChIKey:

LXBIFEVIBLOUGU-DPYQTVNSSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.7.2	C1C(C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 1.7.2	C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O
CACTVS 3.370	OC[CH]1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.370	OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O

Name:

(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;
1-deoxygalactonojirimycin

ChEMBL:

CHEMBL110458

DrugBank:

DB05018

ZINC:

ZINC000001636704

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).