SEQ2FUN

BioLiP

PDB CCD ID: ZTR
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKey: VLOIVYPDUSVCLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccccc1CC(O)=O
ACDLabs 12.01NCc1ccccc1CC(=O)O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CC(=O)O)CN
Name:[2-(aminomethyl)phenyl]acetic 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).