SEQ2FUN

BioLiP

PDB CCD ID: 51X
Number of entries in BioLiP: 3
Chemical formula: C10 H7 N O4
InChI: InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13)
InChIKey: WQINSVOOIJDOLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(=O)(CN2C(=O)c1ccccc1C2=O)O
CACTVS 3.385OC(=O)CN1C(=O)c2ccccc2C1=O
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O
Name:(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid
ChEMBL: CHEMBL2429920
ZINC: ZINC000000064576
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).