BioLiP

PDB

BioLiP

PDB CCD ID:

GLG

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O6

InChI:

InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1

InChIKey:

UKWLGCFJAVEFPE-DVKNGEFBSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)C(=O)N)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O
ACDLabs 10.04	O=C(N)C1OC(CO)C(O)C(O)C1O
CACTVS 3.341	NC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Name:

ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE

ChEMBL:

CHEMBL135302

DrugBank:

DB02720

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).