SEQ2FUN

BioLiP

PDB CCD ID: UNJ
Number of entries in BioLiP: 1
Chemical formula: C9 H5 Br O3
InChI: InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChIKey: QKUWZCOVKRUXKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1Br)cc(o2)C(=O)O
ACDLabs 12.01O=C(O)c2oc1ccc(Br)cc1c2
CACTVS 3.370OC(=O)c1oc2ccc(Br)cc2c1
Name:5-bromo-1-benzofuran-2-carboxylic acid
ChEMBL: CHEMBL1738916
ZINC: ZINC000000151407
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).