SEQ2FUN

BioLiP

PDB CCD ID: 17Z
Number of entries in BioLiP: 2
Chemical formula: C11 H10 O2
InChI: InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
InChIKey: ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(c2ccccc2c1O)O
ACDLabs 12.01Oc2c1ccccc1c(O)c(c2)C
CACTVS 3.370Cc1cc(O)c2ccccc2c1O
Name:2-methylnaphthalene-1,4-diol;
Menadione, bound form
ChEMBL: CHEMBL1405447
ZINC: ZINC000018120050
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).