BioLiP

PDB

BioLiP

PDB CCD ID:

YX1

Number of entries in BioLiP:

Chemical formula:

C8 H17 N3 O7

InChI:

InChI=1S/C8H17N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,10,12-15,17H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1

InChIKey:

LUNQAAUVSFIVKD-NYMZXIIRSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(NO)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04	O=C(NC1C(O)C(O)C(OC1O)CO)N(NO)C
OpenEye OEToolkits 1.5.0	CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO
OpenEye OEToolkits 1.5.0	CN(C(=O)NC1C(C(C(OC1O)CO)O)O)NO
CACTVS 3.341	CN(NO)C(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O

Name:

2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose;
2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucose;
2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-D-glucose;
2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-glucose

ZINC:

ZINC000058649729

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).