SEQ2FUN

BioLiP

PDB CCD ID: 9FN
Number of entries in BioLiP: 3
Chemical formula: C14 H8 Cl N O5
InChI: InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKey: RITAQDHCJBLSSL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O
CACTVS 3.385OC(=O)c1ccccc1C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O
Name:2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid
ChEMBL: CHEMBL2059070
ZINC: ZINC000000155213
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).