SEQ2FUN

BioLiP

PDB CCD ID: TCT
Number of entries in BioLiP: 2
Chemical formula: C16 H11 Cl O3
InChI: InChI=1S/C16H11ClO3/c17-12-3-6-16(15(19)9-12)20-14-5-2-10-7-13(18)4-1-11(10)8-14/h1-9,18-19H
InChIKey: JPSDMABQCFCGLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc2cc(Oc3ccc(Cl)cc3O)ccc2c1
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O
ACDLabs 10.04Clc3cc(O)c(Oc2cc1ccc(O)cc1cc2)cc3
Name:6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL
ZINC: ZINC000002047609
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).