SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C8 H12 N5 O6 P

InChI:

InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)

InChIKey:

KUOAJOVOKFATQE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1
OpenEye OEToolkits 1.7.0	c1nc2c(n1COCCOP(=O)(O)O)N=C(NC2=O)N

Name:

2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate;
acyclic guanosine monophosphate;
acyclovir monophosphate

ChEMBL:

ZINC:

ZINC000002569523

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).