SEQ2FUN

BioLiP

PDB CCD ID: 8MC
Number of entries in BioLiP: 0
Chemical formula: C12 H10 O5
InChI: InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKey: ZEKAXIFHLIITGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CC=1c2c(OC(=O)C=1)cc(OC)cc2
OpenEye OEToolkits 1.7.6COc1ccc2c(c1)OC(=O)C=C2CC(=O)O
CACTVS 3.370COc1ccc2C(=CC(=O)Oc2c1)CC(O)=O
Name:(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid
ChEMBL: CHEMBL268282
ZINC: ZINC000000056577
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).