BioLiP

PDB

BioLiP

PDB CCD ID:

AVP

Number of entries in BioLiP:

Chemical formula:

C8 H14 N5 O12 P3

InChI:

InChI=1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14)

InChIKey:

AYWLSIKEOSXJLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc2c(n1COCCO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(COCCO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1
OpenEye OEToolkits 1.5.0	c1nc2c(n1COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(COCCO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1

Name:

ACYCLOVIR TRIPHOSPHATE

ChEMBL:

CHEMBL1673

ZINC:

ZINC000013649795

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).