SEQ2FUN

BioLiP

PDB CCD ID: 62Y
Number of entries in BioLiP: 2
Chemical formula: C12 H10 Br O3 P
InChI: InChI=1S/C12H10BrO3P/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,(H,14,15)
InChIKey: WLHHOMQLKFZCAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br
CACTVS 3.385O[P](=O)(Oc1cccc(Br)c1)c2ccccc2
ACDLabs 12.01Brc2cc(OP(=O)(O)c1ccccc1)ccc2
Name:3-bromophenyl hydrogen (S)-phenylphosphonate
ZINC: ZINC000231374269
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).