SEQ2FUN

BioLiP

PDB CCD ID: 6TJ
Number of entries in BioLiP: 1
Chemical formula: C15 H11 N O3
InChI: InChI=1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19)
InChIKey: MGTJLBBOVQWHLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc2CN(C(=O)c12)c3ccccc3
OpenEye OEToolkits 2.0.5c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O
Name:3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid
ChEMBL: CHEMBL1705934
ZINC: ZINC000000280077
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).