SEQ2FUN

BioLiP

PDB CCD ID: ISQ
Number of entries in BioLiP: 4
Chemical formula: C9 H7 N
InChI: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey: AWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		c1ccc2cnccc2c1
ACDLabs 10.04n2ccc1c(cccc1)c2
Name:ISOQUINOLINE
ChEMBL: CHEMBL12315
DrugBank: DB04329
ZINC: ZINC000000896098
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).