SEQ2FUN

BioLiP

PDB CCD ID: FZ4
Number of entries in BioLiP: 78
Chemical formula: C14 H16 B N O
InChI: InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.6		B(c1ccccc1)(c2ccccc2)OCCN
CACTVS 3.385NCCOB(c1ccccc1)c2ccccc2
Name:2-aminoethyl diphenylborinate
ChEMBL: CHEMBL169233
ZINC: ZINC000169743034
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).