BioLiP

PDB

BioLiP

PDB CCD ID:

4UZ

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O7

InChI:

InChI=1S/C14H19NO7/c16-6-9-11(17)12(18)10(13(19)22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9-,10-,11-,12-,13-/m1/s1

InChIKey:

FRTOTMQAWIIMKK-SYLRKERUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)COC(=O)NC2C(C(C(OC2O)CO)O)O
ACDLabs 12.01	C2(O)C(NC(OCc1ccccc1)=O)C(OC(C2O)CO)O
CACTVS 3.385	OC[CH]1O[CH](O)[CH](NC(=O)OCc2ccccc2)[CH](O)[CH]1O
CACTVS 3.385	OC[C@H]1O[C@@H](O)[C@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@@H]1O

Name:

2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose;
N-[(benzyloxy)carbonyl]-beta-D-glucosamine;
2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucose;
2-{[(benzyloxy)carbonyl]amino}-2-deoxy-D-glucose;
2-{[(benzyloxy)carbonyl]amino}-2-deoxy-glucose

ZINC:

ZINC000022053916

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).