SEQ2FUN

BioLiP

PDB CCD ID: 1BO
Number of entries in BioLiP: 57
Chemical formula: C4 H10 O
InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCO
ACDLabs 10.04OCCCC
Name:1-BUTANOL;
BUTAN-1-OL
ChEMBL: CHEMBL14245
DrugBank: DB02145
ZINC: ZINC000001530354
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).