BioLiP

PDB

BioLiP

PDB CCD ID:

CFV

Number of entries in BioLiP:

Chemical formula:

C8 H14 N3 O6 P

InChI:

InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m1/s1

InChIKey:

VWFCHDSQECPREK-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)C[C@H](CO)OCP(=O)(O)O
CACTVS 3.341	NC1=NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1
CACTVS 3.341	NC1=NC(=O)N(C[C@H](CO)OC[P](O)(O)=O)C=C1
ACDLabs 10.04	O=C1N=C(C=CN1CC(OCP(=O)(O)O)CO)N

Name:

[(2R)-1-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-propan-2-yl]oxymethylphosphonic acid

ZINC:

ZINC000028762983

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).