SEQ2FUN

BioLiP

PDB CCD ID: WLX
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
InChIKey: VYCKDIRCVDCQAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2cnc(cc2c1)N
ACDLabs 12.01
CACTVS 3.385		Nc1cc2ccccc2cn1
Name:isoquinolin-3-amine
ChEMBL: CHEMBL61743
ZINC: ZINC000000157801
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).