SEQ2FUN

BioLiP

PDB CCD ID: 04Q
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKey: KGSVNOLLROCJQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CNCc1ccccc1
OpenEye OEToolkits 1.9.2c1ccc(cc1)CNCC(=O)O
ACDLabs 12.01O=C(O)CNCc1ccccc1
Name:N-benzylglycine
ChEMBL: CHEMBL453029
ZINC: ZINC000000155965
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).