SEQ2FUN

BioLiP

PDB CCD ID: ES4
Number of entries in BioLiP: 5
Chemical formula: C5 H3 Cl N4
InChI: InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1[nH]c2c(n1)c(ncn2)Cl
CACTVS 3.352Clc1ncnc2[nH]cnc12
Name:6-chloro-9H-purine
ChEMBL: CHEMBL140037
ZINC: ZINC000004807217
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).