BioLiP

PDB

BioLiP

PDB CCD ID:

HCU

Number of entries in BioLiP:

Chemical formula:

C10 H16 N5 O6 P

InChI:

InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-21-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1

InChIKey:

BLURMGIBVBRPQT-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=O)N
OpenEye OEToolkits 2.0.7	c1nc2c(n1CCC(CO)COP(=O)(O)O)NC(=NC2=O)N
CACTVS 3.385	NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)(O)=O)c2N1
CACTVS 3.385	NC1=NC(=O)c2ncn(CC[C@H](CO)CO[P](O)(O)=O)c2N1

Name:

[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate;
Penciclovir phosphate

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).