SEQ2FUN

BioLiP

PDB CCD ID: BU1
Number of entries in BioLiP: 2
Chemical formula: C4 H10 O2
InChI: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCCCO
OpenEye OEToolkits 1.5.0C(CCO)CO
Name:1,4-BUTANEDIOL
ChEMBL: CHEMBL171623
DrugBank: DB01955
ZINC: ZINC000001599375
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).