SEQ2FUN

BioLiP

PDB CCD ID: 24W
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2
InChI: InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
InChIKey: ZSHCQIHYOFRGNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(c(c1)N)CCNC2
CACTVS 3.385Nc1cccc2CNCCc12
ACDLabs 12.01c12cccc(c1CCNC2)N
Name:1,2,3,4-tetrahydroisoquinolin-5-amine
ChEMBL: CHEMBL3237624
ZINC: ZINC000012958084
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).