SEQ2FUN

BioLiP

PDB CCD ID: K91
Number of entries in BioLiP: 16
Chemical formula: C15 H9 Cl2 N O2
InChI: InChI=1S/C15H9Cl2NO2/c16-9-3-5-12(19)14(8-9)20-13-6-4-11(17)10-2-1-7-18-15(10)13/h1-8,19H
InChIKey: PXDPCRTVJVDTRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl
CACTVS 3.370Oc1ccc(Cl)cc1Oc2ccc(Cl)c3cccnc23
ACDLabs 12.01Clc3cc(Oc1ccc(Cl)c2cccnc12)c(O)cc3
Name:4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol
ChEMBL: CHEMBL222361
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).