SEQ2FUN

BioLiP

PDB CCD ID: SH8
Number of entries in BioLiP: 14
Chemical formula: C11 H8 O4
InChI: InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey: FJICLQQBBFWGMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)O
CACTVS 3.385Cc1ccc2OC(=O)C(=Cc2c1)C(O)=O
Name:6-methyl-2-oxidanylidene-chromene-3-carboxylic acid
ChEMBL: CHEMBL577123
ZINC: ZINC000002023765
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).