SEQ2FUN

BioLiP

PDB CCD ID: HA8
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N5
InChI: InChI=1S/C9H9N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2,4-6H,1,3H2,(H,11,12,13,14)/b10-4+
InChIKey: FOLHQMCIMSOVSL-ONNFQVAWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C=CCC=Nc1ncnc2nc[nH]c12
ACDLabs 10.04n1c(\N=C\C\C=C)c2c(nc1)ncn2
OpenEye OEToolkits 1.5.0C=CC\C=N\c1c2c(nc[nH]2)ncn1
OpenEye OEToolkits 1.5.0C=CCC=Nc1c2c(nc[nH]2)ncn1
Name:N6-(buta-2,3-dienyl)adenine
ZINC: ZINC000103544388
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).