SEQ2FUN

BioLiP

PDB CCD ID: 1EB
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O3
InChI: InChI=1S/C10H10N2O3/c13-10(7-1-2-7)11-8-3-5-9(6-4-8)12(14)15/h3-7H,1-2H2,(H,11,13)
InChIKey: PXCMXAOVWGQBSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370[O-][N+](=O)c1ccc(NC(=O)C2CC2)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-]
ACDLabs 12.01O=C(Nc1ccc([N+]([O-])=O)cc1)C2CC2
Name:N-(4-nitrophenyl)cyclopropanecarboxamide
ChEMBL: CHEMBL3127517
ZINC: ZINC000004550032
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).