SEQ2FUN

BioLiP

PDB CCD ID: 4NA
Number of entries in BioLiP: 2
Chemical formula: C16 H11 Cl O2
InChI: InChI=1S/C16H11ClO2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10/h1-9,18-19H
InChIKey: YHEHVRSGKUYDON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O
CACTVS 3.341Oc1ccc(cc1)c2ccc3c(Cl)c(O)ccc3c2
ACDLabs 10.04Clc2c(O)ccc1cc(ccc12)c3ccc(O)cc3
Name:1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL
ChEMBL: CHEMBL364092
DrugBank: DB07119
ZINC: ZINC000013645009
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).