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BioLiP

PDB CCD ID: 1SD
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O7 S
InChI: InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
InChIKey: OQMMAWGZUDHRTA-PHYPRBDBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)S(=O)(=O)N)O)O)O)O
CACTVS 3.341N[S](=O)(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=S(=O)(N)C1OC(C(O)C(O)C1O)CO
CACTVS 3.341N[S](=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S(=O)(=O)N)O)O)O)O
Name:(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol;
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide;
(1S)-D-Galactopyranosylsulfonamide
ChEMBL: CHEMBL569412
ZINC: ZINC000039290225
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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