SEQ2FUN

BioLiP

PDB CCD ID: 27B
Number of entries in BioLiP: 1
Chemical formula: C11 H7 Br O2
InChI: InChI=1S/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)
InChIKey: VUVIRKAVBZITDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ccc(c2Br)C(=O)O
ACDLabs 12.01O=C(O)c2ccc1ccccc1c2Br
CACTVS 3.370OC(=O)c1ccc2ccccc2c1Br
Name:1-bromonaphthalene-2-carboxylic acid
ChEMBL: CHEMBL572763
ZINC: ZINC000000156804
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).