SEQ2FUN

BioLiP

PDB CCD ID: ZCQ
Number of entries in BioLiP: 3
Chemical formula: C6 H5 N O3
InChI: InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
InChIKey: RTZZCYNQPHTPPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=[N+]([O-])c1cccc(O)c1
OpenEye OEToolkits 1.7.6c1cc(cc(c1)O)[N+](=O)[O-]
CACTVS 3.370Oc1cccc(c1)[N+]([O-])=O
Name:3-nitrophenol
ChEMBL: CHEMBL13888
ZINC: ZINC000001576887
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).