SEQ2FUN

BioLiP

PDB CCD ID: V6S
Number of entries in BioLiP: 4
Chemical formula: C13 H10 O4
InChI: InChI=1S/C13H10O4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H,(H,15,16)
InChIKey: DEDKCEDXZJIDKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(Oc2cccc(O)c2)cc1
ACDLabs 12.01c1c(cc(cc1)Oc2ccc(cc2)C(O)=O)O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Oc2ccc(cc2)C(=O)O)O
Name:4-(3-hydroxyphenoxy)benzoic acid
ZINC: ZINC000002527902
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).