SEQ2FUN

BioLiP

PDB CCD ID: GZB
Number of entries in BioLiP: 0
Chemical formula: C9 H9 N O3
InChI: InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKey: QIAFMBKCNZACKA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CNC(=O)c1ccccc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(=O)NCC(=O)O
Name:2-benzamidoethanoic acid
ChEMBL: CHEMBL461
DrugBank: DB16842
ZINC: ZINC000006344064
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).