SEQ2FUN

BioLiP

PDB CCD ID: A1BXN
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
InChIKey: ISIUXVGHQFJYHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)cncc2N
CACTVS 3.385Nc1cncc2ccccc12
ACDLabs 14.52Nc1cncc2ccccc21
Name:isoquinolin-4-amine
ChEMBL: CHEMBL5607745
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).