SEQ2FUN

BioLiP

PDB CCD ID: 718
Number of entries in BioLiP: 0
Chemical formula: C10 H10 O2
InChI: InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
InChIKey: FNSQPQKPPGALFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c21C(=O)CCCc1cc(cc2)O
OpenEye OEToolkits 2.0.5c1cc2c(cc1O)CCCC2=O
CACTVS 3.385Oc1ccc2C(=O)CCCc2c1
Name:6-hydroxy-3,4-dihydronaphthalen-1(2H)-one
ChEMBL: CHEMBL3288306
ZINC: ZINC000004108295
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).