SEQ2FUN

BioLiP

PDB CCD ID: ZIP
Number of entries in BioLiP: 7
Chemical formula: C10 H13 N5
InChI: InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey: HYVABZIGRDEKCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c1c(ncn1)c(nc2)NC\C=C(/C)C
OpenEye OEToolkits 1.5.0CC(=CCNc1c2c([nH]cn2)ncn1)C
CACTVS 3.341CC(C)=CCNc1ncnc2[nH]cnc12
Name:N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE;
ISOPENTENYLADENINE
ChEMBL: CHEMBL476189
DrugBank: DB08768
ZINC: ZINC000000032351
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).