SEQ2FUN

BioLiP

PDB CCD ID: AAN
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N O4
InChI: InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey: YBADLXQNJCMBKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)O)[N+](=O)[O-]
CACTVS 3.341OC(=O)Cc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=C(O)Cc1ccc(cc1)[N+]([O-])=O
Name:2-(4-NITROPHENYL)ACETIC ACID
DrugBank: DB07331
ZINC: ZINC000000154582
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).