SEQ2FUN

BioLiP

PDB CCD ID: JY2
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N5
InChI: InChI=1S/C11H13N5/c1-3-4-5-6-16-8(2)15-9-10(12)13-7-14-11(9)16/h1,7H,4-6H2,2H3,(H2,12,13,14)
InChIKey: XNRGOKLMAXATIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2c(N)ncnc2n1CCCC#C
OpenEye OEToolkits 2.0.7Cc1nc2c(ncnc2n1CCCC#C)N
Name:8-methyl-9-pent-4-ynyl-purin-6-amine
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).