SEQ2FUN

BioLiP

PDB CCD ID: 6RH
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N4 O4 P
InChI: InChI=1S/C9H13N4O4P/c14-9-7-8(10-5-11-9)13(6-12-7)3-1-2-4-18(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17)
InChIKey: SXKIHSHTTWSCGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O
CACTVS 3.385O[P](O)(=O)CCCCn1cnc2C(=O)NC=Nc12
Name:4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid;
9-(4-(phosphonobutil)hypoxanthine
ChEMBL: CHEMBL1928781
ZINC: ZINC000073198913
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).