SEQ2FUN

BioLiP

PDB CCD ID: B2A
Number of entries in BioLiP: 3
Chemical formula: C2 H8 B N O2
InChI: InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1
InChIKey: MEJXSZPJYPOEIL-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH](N)B(O)O
ACDLabs 12.01OB(O)C(N)C
OpenEye OEToolkits 1.7.0B([C@H](C)N)(O)O
OpenEye OEToolkits 1.7.0B(C(C)N)(O)O
CACTVS 3.370C[C@H](N)B(O)O
Name:ALANINE 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).