SEQ2FUN

BioLiP

PDB CCD ID: JAL
Number of entries in BioLiP: 2
Chemical formula: C13 H10 Cl2 O2
InChI: InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey: MDNWOSOZYLHTCG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O
CACTVS 3.385Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O
Name:4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol;
Dichlorophen
ChEMBL: CHEMBL33845
DrugBank: DB11396
ZINC: ZINC000000056435
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).