BioLiP

PDB

BioLiP

PDB CCD ID:

DHZ

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O5

InChI:

InChI=1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1,3,5-8,12-14H,2,4H2,(H,10,15)/t5-,6-,7-,8-/m1/s1

InChIKey:

NVRAAJMSMZQKRW-WCTZXXKLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C=CN(C(=O)N1)C2C(C(C(O2)CO)O)O
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CCNC2=O
OpenEye OEToolkits 1.5.0	C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341	OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CCNC2=O
ACDLabs 10.04	O=C1NCC=CN1C2OC(C(O)C2O)CO

Name:

3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE NUCLEOSIDE

ChEMBL:

CHEMBL1232227

ZINC:

ZINC000033821270

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).