SEQ2FUN

BioLiP

PDB CCD ID: UJQ
Number of entries in BioLiP: 3
Chemical formula: C14 H10 O3
InChI: InChI=1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)
InChIKey: VSBFNCXKYIEYIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(c3ccccc3O2)C(=O)O
CACTVS 3.385OC(=O)C1c2ccccc2Oc3ccccc13
Name:9~{H}-xanthene-9-carboxylic acid
ChEMBL: CHEMBL520
ZINC: ZINC000000078659
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).