SEQ2FUN

BioLiP

PDB CCD ID: 27K
Number of entries in BioLiP: 6
Chemical formula: C11 H14 O3
InChI: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKey: QFOHBWFCKVYLES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCOC(=O)c1ccc(cc1)O
CACTVS 3.385CCCCOC(=O)c1ccc(O)cc1
ACDLabs 12.01O=C(OCCCC)c1ccc(O)cc1
Name:butyl 4-hydroxybenzoate
ChEMBL: CHEMBL459008
DrugBank: DB14084
ZINC: ZINC000001586769
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).