SEQ2FUN

BioLiP

PDB CCD ID: 3XH
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N O4
InChI: InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChIKey: XDOFWFNMYJRHEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1cc(O)ccc1)NCC(=O)O
OpenEye OEToolkits 1.5.0c1cc(cc(c1)O)C(=O)NCC(=O)O
CACTVS 3.341OC(=O)CNC(=O)c1cccc(O)c1
Name:3-Hydroxyhippuric acid;
N-[(3-hydroxyphenyl)carbonyl]glycine
ChEMBL: CHEMBL447627
DrugBank: DB07069
ZINC: ZINC000006534965
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).