SEQ2FUN

BioLiP

PDB CCD ID: PDO
Number of entries in BioLiP: 166
Chemical formula: C3 H8 O2
InChI: InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey: YPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
Name:1,3-PROPANDIOL
ChEMBL: CHEMBL379652
DrugBank: DB02774
ZINC: ZINC000001529437
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).