SEQ2FUN

BioLiP

PDB CCD ID: JXW
Number of entries in BioLiP: 1
Chemical formula: C8 H10 Cl N5
InChI: InChI=1S/C8H10ClN5/c1-5-13-6-7(10)11-4-12-8(6)14(5)3-2-9/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKey: XOAPLONMSUKXAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2c(N)ncnc2n1CCCl
OpenEye OEToolkits 2.0.7Cc1nc2c(ncnc2n1CCCl)N
Name:9-(2-chloroethyl)-8-methyl-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).