SEQ2FUN

BioLiP

PDB CCD ID: 0FO
Number of entries in BioLiP: 1
Chemical formula: C9 H5 Br O3
InChI: InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChIKey: KNMCTCABMSGXGR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1Br)C(=CC(=O)O2)O
CACTVS 3.370OC1=CC(=O)Oc2ccc(Br)cc12
ACDLabs 12.01Brc2ccc1OC(=O)C=C(O)c1c2
Name:6-bromo-4-hydroxy-2H-chromen-2-one
ChEMBL: CHEMBL2032372
ZINC: ZINC000000057985
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).