SEQ2FUN

BioLiP

PDB CCD ID: IAP
Number of entries in BioLiP: 3
Chemical formula: C8 H9 B I N O3
InChI: InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)
InChIKey: LMHXPDZPXBIIEX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0B(c1cccc(c1)NC(=O)CI)(O)O
ACDLabs 10.04ICC(=O)Nc1cc(B(O)O)ccc1
CACTVS 3.341OB(O)c1cccc(NC(=O)CI)c1
Name:4-IODO-ACETAMIDO PHENYLBORONIC ACID
DrugBank: DB02122
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).