SEQ2FUN

BioLiP

PDB CCD ID: 5SG
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O
InChI: InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
InChIKey: CSNXUYRHPXGSJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cccc2cnccc12
OpenEye OEToolkits 2.0.4c1cc2cnccc2c(c1)O
Name:isoquinolin-5-ol
ChEMBL: CHEMBL57481
ZINC: ZINC000000404427
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).