BioLiP

PDB

BioLiP

PDB CCD ID:

BG8

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O6

InChI:

InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13-/m1/s1

InChIKey:

VSGKVJPCJOJUBP-VDWIVTDKSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O
CACTVS 3.385	OC[CH]1O[CH](O)[CH](NC(=O)c2ccccc2)[CH](O)[CH]1O
CACTVS 3.385	OC[C@H]1O[C@@H](O)[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(=O)NC2C(C(C(OC2O)CO)O)O

Name:

2-(benzoylamino)-2-deoxy-beta-D-glucopyranose;
N-benzoyl-beta-D-glucosamine;
2-(benzoylamino)-2-deoxy-beta-D-glucose;
2-(benzoylamino)-2-deoxy-D-glucose;
2-(benzoylamino)-2-deoxy-glucose

ZINC:

ZINC000038816654

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).