SEQ2FUN

BioLiP

PDB CCD ID: 7WV
Number of entries in BioLiP: 6
Chemical formula: C7 H5 Br O2
InChI: InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey: XRXMNWGCKISMOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1Br
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)O)Br
ACDLabs 12.01c1ccc(c(c1)C(O)=O)Br
Name:2-bromobenzoic acid
ChEMBL: CHEMBL115950
ZINC: ZINC000000164706
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).