SEQ2FUN

BioLiP

PDB CCD ID: 6J9
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N5
InChI: InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
InChIKey: LZSXQBNNRGZPES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CN(CCN1)c2ncnc3[nH]ccc23
OpenEye OEToolkits 2.0.4c1c[nH]c2c1c(ncn2)N3CCNCC3
ACDLabs 12.01c2(c1c(ncc1)ncn2)N3CCNCC3
Name:4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
ChEMBL: CHEMBL595554
ZINC: ZINC000040448778
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).