SEQ2FUN

BioLiP

PDB CCD ID: ZWD
Number of entries in BioLiP: 0
Chemical formula: C9 H10 N2 O3
InChI: InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChIKey: HSMNQINEKMPTIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(cc1)C(=O)NCC(O)=O
ACDLabs 12.01O=C(NCC(=O)O)c1ccc(N)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=O)NCC(=O)O)N
Name:N-(4-aminobenzoyl)glycine;
Para-aminohippuric acid
ChEMBL: CHEMBL463
DrugBank: DB00345
ZINC: ZINC000000119344
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).