SEQ2FUN

BioLiP

PDB CCD ID: 9DA
Number of entries in BioLiP: 4
Chemical formula: C6 H6 N4
InChI: InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
InChIKey: YRVFQPBPZCRUDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c[nH]c2c1ncnc2N
CACTVS 3.341Nc1ncnc2cc[nH]c12
ACDLabs 10.04n1c(c2c(nc1)ccn2)N
Name:9-DEAZAADENINE
DrugBank: DB03506
ZINC: ZINC000001575342
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).