SEQ2FUN

BioLiP

PDB CCD ID: AOT
Number of entries in BioLiP: 6
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKey: PQJZHMCWDKOPQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)NC(=O)C(=O)O
CACTVS 3.385OC(=O)C(=O)Nc1ccccc1
Name:2-oxidanylidene-2-phenylazanyl-ethanoic acid
ChEMBL: CHEMBL3248231
ZINC: ZINC000001679336
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).