SEQ2FUN

BioLiP

PDB CCD ID: AO7
Number of entries in BioLiP: 1
Chemical formula: C10 H6 O4
InChI: InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)
InChIKey: RVMGXWBCQGAWBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(=O)(O)C2=CC(c1ccccc1O2)=O
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)C=C(O2)C(=O)O
CACTVS 3.385OC(=O)C1=CC(=O)c2ccccc2O1
Name:4-oxo-4H-1-benzopyran-2-carboxylic acid;
9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E)
ChEMBL: CHEMBL83628
ZINC: ZINC000000057734
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).