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BioLiP

PDB CCD ID: LKA
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O4 S
InChI: InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
InChIKey: FGVRMLQUWLZGLJ-PQMKYFCFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O
CACTVS 3.341N[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(S1)N)O)O)O)O
ACDLabs 10.04OC1C(O)C(SC(N)C1O)CO
CACTVS 3.341N[CH]1S[CH](CO)[CH](O)[CH](O)[CH]1O
Name:5-thio-alpha-D-mannopyranosylamine;
5-THIO-A/B-D-MANNOPYRANOSYLAMINE;
5-thio-alpha-D-mannosylamine;
5-thio-D-mannosylamine;
5-thio-mannosylamine
DrugBank: DB03414
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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