SEQ2FUN

BioLiP

PDB CCD ID: Q9P
Number of entries in BioLiP: 1
Chemical formula: C12 H9 Cl N4 O
InChI: InChI=1S/C12H9ClN4O/c13-10-9(6-8-4-2-1-3-5-8)11(18)17-12(16-10)14-7-15-17/h1-5,7,18H,6H2
InChIKey: AFMPXANNRQOFLA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1n2ncnc2nc(Cl)c1Cc3ccccc3
OpenEye OEToolkits 2.0.6c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl
Name:Azolopyrimidine
ChEMBL: CHEMBL2289491
ZINC: ZINC000095485879
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).