SEQ2FUN

BioLiP

PDB CCD ID: 6QD
Number of entries in BioLiP: 4
Chemical formula: C10 H15 N4 O4 P
InChI: InChI=1S/C10H15N4O4P/c15-10-8-9(11-6-12-10)14(7-13-8)4-2-1-3-5-19(16,17)18/h6-7H,1-5H2,(H,11,12,15)(H2,16,17,18)
InChIKey: HKVZDTLGAPBOBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)CCCCCn1cnc2C(=O)N=CNc12
OpenEye OEToolkits 2.0.5c1nc2c(n1CCCCCP(=O)(O)O)NC=NC2=O
Name:5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid;
9-[5-(phosphonoheptyl]hypoxanthine
ChEMBL: CHEMBL13130
ZINC: ZINC000013735751
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).