SEQ2FUN

BioLiP

PDB CCD ID: 07L
Number of entries in BioLiP: 5
Chemical formula: C9 H6 O3
InChI: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
InChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc2c(cc1O)OC(=O)C=C2
ACDLabs 12.01O=C2Oc1cc(O)ccc1C=C2
CACTVS 3.370Oc1ccc2C=CC(=O)Oc2c1
Name:7-hydroxy-2H-chromen-2-one;
7-hydroxycoumarin
ChEMBL: CHEMBL51628
ZINC: ZINC000000058111
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).