SEQ2FUN

BioLiP

PDB CCD ID: KFW
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O2
InChI: InChI=1S/C6H13NO2/c8-4-5-6(9)2-1-3-7-5/h5-9H,1-4H2/t5-,6+/m0/s1
InChIKey: WRLZCUCTSFUOQY-NTSWFWBYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@@H]1NCCC[C@H]1O
OpenEye OEToolkits 2.0.7C1C[C@H]([C@@H](NC1)CO)O
CACTVS 3.385OC[CH]1NCCC[CH]1O
OpenEye OEToolkits 2.0.7C1CC(C(NC1)CO)O
Name:(2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol
ChEMBL: CHEMBL2011619
ZINC: ZINC000001562143
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).