SEQ2FUN

BioLiP

PDB CCD ID: 4EU
Number of entries in BioLiP: 3
Chemical formula: C13 H10 O4
InChI: InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
InChIKey: OKJFKPFBSPZTAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)C(=O)c2ccc(O)cc2O
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=O)c2ccc(cc2O)O)O
ACDLabs 12.01O=C(c1ccc(cc1O)O)c2ccc(cc2)O
Name:(2,4-dihydroxyphenyl)(4-hydroxyphenyl)methanone
ChEMBL: CHEMBL1905072
ZINC: ZINC000000037292
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).