SEQ2FUN

BioLiP

PDB CCD ID: P9P
Number of entries in BioLiP: 19
Chemical formula: C6 H4 Cl N O3
InChI: InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKey: BOFRXDMCQRTGII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(c(cc1N(=O)=O)Cl)O
CACTVS 3.385Oc1ccc(cc1Cl)[N](=O)=O
Name:2-chloranyl-4-nitro-phenol
ChEMBL: CHEMBL150824
ZINC: ZINC000012358970
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).