SEQ2FUN

BioLiP

PDB CCD ID: 5OF
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 O3
InChI: InChI=1S/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)
InChIKey: ZEDQLIHBPGNGEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CC1=NNC(=O)c2ccccc12
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C(=NNC2=O)CC(=O)O
Name:2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid
ChEMBL: CHEMBL1411440
ZINC: ZINC000008652361
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).