SEQ2FUN

BioLiP

PDB CCD ID: 4JQ
Number of entries in BioLiP: 2
Chemical formula: C9 H7 N O2
InChI: InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2
InChIKey: ZOJAINJCZSVZGW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2OC(=O)C=Cc2c1
OpenEye OEToolkits 1.9.2c1cc2c(cc1N)C=CC(=O)O2
ACDLabs 12.01c1c(cc2c(c1)OC(C=C2)=O)N
Name:6-amino-2H-chromen-2-one
ChEMBL: CHEMBL1829962
ZINC: ZINC000001612349
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).