BioLiP

PDB

BioLiP

PDB CCD ID:

NG6

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O9 S

InChI:

InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1

InChIKey:

WJFVEEAIYIOATH-JAJWTYFOSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O
CACTVS 3.341	CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O
CACTVS 3.341	CC(=O)N[C@H]1[C@H](O)O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@@H]1O

Name:

2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose;
N-ACETYL-D-GALACTOSAMINE 6-SULFATE;
N-acetyl-6-O-sulfo-beta-D-galactosamine;
2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactose;
2-acetamido-2-deoxy-6-O-sulfo-D-galactose;
2-acetamido-2-deoxy-6-O-sulfo-galactose

DrugBank:

DB02186

ZINC:

ZINC000004096360

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).