SEQ2FUN

BioLiP

PDB CCD ID: QSH
Number of entries in BioLiP: 3
Chemical formula: C7 H4 Br2 O3
InChI: InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey: PHWAJJWKNLWZGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cc(c(c1Br)O)Br)C(=O)O
CACTVS 3.385OC(=O)c1cc(Br)c(O)c(Br)c1
Name:3,5-bis(bromanyl)-4-oxidanyl-benzoic acid
ChEMBL: CHEMBL3181991
ZINC: ZINC000000056596
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).