SEQ2FUN

BioLiP

PDB CCD ID: 4X6
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2
InChI: InChI=1S/C10H14N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-4H,5-7,11H2,1H3
InChIKey: OXWNTTVDTPIYRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CCc2c(N)cccc2C1
OpenEye OEToolkits 1.9.2CN1CCc2c(cccc2N)C1
ACDLabs 12.01C1N(Cc2c(C1)c(N)ccc2)C
Name:2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
ZINC: ZINC000034240091
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).