SEQ2FUN

BioLiP

PDB CCD ID: 06K
Number of entries in BioLiP: 12
Chemical formula: C5 H2 Cl2 N4
InChI: InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1nc(Cl)c2[nH]cnc2n1
OpenEye OEToolkits 2.0.7c1[nH]c2c(n1)nc(nc2Cl)Cl
Name:2,6-bis(chloranyl)-7H-purine;
2,6-dichloropurine
ChEMBL: CHEMBL1256006
ZINC: ZINC000013516915
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).