SEQ2FUN

BioLiP

PDB CCD ID: BUB
Number of entries in BioLiP: 4
Chemical formula: C4 H11 B O2
InChI: InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
InChIKey: QPKFVRWIISEVCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OB(O)CCCC
OpenEye OEToolkits 1.7.6B(CCCC)(O)O
CACTVS 3.385CCCCB(O)O
Name:1-BUTANE BORONIC ACID
ChEMBL: CHEMBL31962
DrugBank: DB02664
ZINC: ZINC000169743048
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).