SEQ2FUN

BioLiP

PDB CCD ID: Z82
Number of entries in BioLiP: 9
Chemical formula: C7 H5 Br O2
InChI: InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey: TUXYZHVUPGXXQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1C(=O)O)Br
CACTVS 3.352OC(=O)c1ccc(Br)cc1
Name:4-bromobenzoic acid
ChEMBL: CHEMBL22051
ZINC: ZINC000000388063
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).