SEQ2FUN

BioLiP

PDB CCD ID: A1IQR
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N2
InChI: InChI=1S/C9H10N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2,(H2,10,11)
InChIKey: KFCJKQZKHMRYQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=NCCc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)CCN=C2N
Name:3,4-dihydroisoquinolin-1-amine
ChEMBL: CHEMBL7891
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).