SEQ2FUN

BioLiP

PDB CCD ID: TCC
Number of entries in BioLiP: 2
Chemical formula: C12 H9 Cl2 N O
InChI: InChI=1S/C12H9Cl2NO/c13-8-5-6-10(9(14)7-8)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKey: PPZLXGFYVBKTGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O
CACTVS 3.341Oc1ccccc1Nc2ccc(Cl)cc2Cl
ACDLabs 10.04Clc2cc(Cl)ccc2Nc1ccccc1O
Name:2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL
ZINC: ZINC000002047635
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).