SEQ2FUN

BioLiP

PDB CCD ID: B1F
Number of entries in BioLiP: 0
Chemical formula: C8 H12 B N O2
InChI: InChI=1/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
InChIKey: OAZCLPVPUZOYGA-QMMMGPOBBS
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0B(C(Cc1ccccc1)N)(O)O
CACTVS 3.341N[C@@H](Cc1ccccc1)B(O)O
ACDLabs 10.04OB(O)C(N)Cc1ccccc1
OpenEye OEToolkits 1.5.0B([C@H](Cc1ccccc1)N)(O)O
CACTVS 3.341N[CH](Cc1ccccc1)B(O)O
Name:PHENYLALANINE BORONIC ACID
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).