SEQ2FUN

BioLiP

PDB CCD ID: P81
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
InChIKey: CTJKRKMPTRJAIT-AATRIKPKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1/C=C/[N+](=O)[O-])O
CACTVS 3.370Oc1ccc(cc1)C=C[N+]([O-])=O
CACTVS 3.370Oc1ccc(cc1)/C=C/[N+]([O-])=O
ACDLabs 12.01[O-][N+](=O)/C=C/c1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1C=C[N+](=O)[O-])O
Name:4-[(E)-2-nitroethenyl]phenol;
(E)-1-(4'-hydroxyphenyl)-2-nitroethene
ChEMBL: CHEMBL307481
ZINC: ZINC000000039663
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).