SEQ2FUN

BioLiP

PDB CCD ID: W55
Number of entries in BioLiP: 1
Chemical formula: C10 H8 O3
InChI: InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
InChIKey: DEBZQUFVQZPPLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C1=Cc2ccccc2OC1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=C(CO2)C(=O)O
ACDLabs 12.01O=C(O)C1=Cc2ccccc2OC1
Name:2H-1-benzopyran-3-carboxylic acid
ZINC: ZINC000000158998
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).