SEQ2FUN

BioLiP

PDB CCD ID: 9JE
Number of entries in BioLiP: 24
Chemical formula: C5 H12 O2
InChI: InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCO)CCO
CACTVS 3.385OCCCCCO
Name:pentane-1,5-diol
ChEMBL: CHEMBL448289
ZINC: ZINC000001687319
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).