SEQ2FUN

BioLiP

PDB CCD ID: E4B
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OCC)c1ccc(O)cc1
OpenEye OEToolkits 1.7.6CCOC(=O)c1ccc(cc1)O
CACTVS 3.370CCOC(=O)c1ccc(O)cc1
Name:ethyl 4-hydroxybenzoate;
Ethyl p-hydroxybenzoate
ChEMBL: CHEMBL15841
DrugBank: DB13628
ZINC: ZINC000000001392
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).