SEQ2FUN

BioLiP

PDB CCD ID: XIF
Number of entries in BioLiP: 3
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1
InChIKey: IZXWMVPZODQBRB-RFZPGFLSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CNCC(C1O)O
OpenEye OEToolkits 1.7.6C1CNC[C@H]([C@@H]1O)O
CACTVS 3.370O[CH]1CCNC[CH]1O
ACDLabs 12.01OC1CCNCC1O
CACTVS 3.370O[C@@H]1CCNC[C@H]1O
Name:PIPERIDINE-3,4-DIOL;
XYLOSE-DERIVED ISOFAGOMINE
ZINC: ZINC000005847923
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).