SEQ2FUN

BioLiP

PDB CCD ID: MZB
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O4 S
InChI: InChI=1S/C6H13NO4S/c1-12(11)6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+,12+/m0/s1
InChIKey: ZJFKRRRXLLAUHQ-DMRLTRFVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[S@@](=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
ACDLabs 10.04O=S(C1C(O)C(O)C(O)C1N)C
OpenEye OEToolkits 1.5.0CS(=O)C1C(C(C(C1O)O)O)N
CACTVS 3.341C[S](=O)[CH]1[CH](N)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N
Name:(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol;
MANNOSTATIN B
ZINC: ZINC000031415784
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).