SEQ2FUN

BioLiP

PDB CCD ID: UI8
Number of entries in BioLiP: 1
Chemical formula: C14 H12 B N2 O
InChI: InChI=1S/C14H12BN2O/c18-15-13-7-3-1-6-12(13)10-17(15)14-8-4-2-5-11(14)9-16-15/h1-9,18H,10H2
InChIKey: UCHLFALBLFGNQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B12(c3ccccc3CN1c4ccccc4C=N2)O
CACTVS 3.385O[B]12N=Cc3ccccc3N1Cc4ccccc24
Name:7-$l^{3}-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine
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).