BioLiP

PDB

BioLiP

PDB CCD ID:

SGJ

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3 S

InChI:

InChI=1S/C6H13NO3S/c8-2-3-6(11)5(10)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

InChIKey:

NSHHSUUKQHDEOL-JGWLITMVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C(C(C(C(N1)CO)S)O)O
CACTVS 3.385	OC[CH]1NC[CH](O)[CH](O)[CH]1S
CACTVS 3.385	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1S
OpenEye OEToolkits 2.0.6	C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O

Name:

1,4-dideoxy-4-thio-nojirimycin

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).