SEQ2FUN

BioLiP

PDB CCD ID: 69P
Number of entries in BioLiP: 0
Chemical formula: C9 H12 N6
InChI: InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9/h5-6,10H,1-4H2,(H,11,12,13,14)
InChIKey: FFNVVVLETZYYJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C1CN(CCN1)c2ncnc3[nH]cnc23
ACDLabs 12.01n2cnc1c(ncn1)c2N3CCNCC3
OpenEye OEToolkits 1.7.0c1[nH]c2c(n1)c(ncn2)N3CCNCC3
Name:6-piperazin-1-yl-9H-purine
ZINC: ZINC000005387417
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).