BioLiP

PDB

BioLiP

PDB CCD ID:

LKA

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O
CACTVS 3.341	N[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(S1)N)O)O)O)O
ACDLabs 10.04	OC1C(O)C(SC(N)C1O)CO
CACTVS 3.341	N[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, 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).