BioLiP

PDB

BioLiP

PDB CCD ID:

0MI

Number of entries in BioLiP:

Chemical formula:

C10 H14 N5 O4

InChI:

InChI=1S/C10H14N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,11,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1

InChIKey:

WPGIPVMLNBRRLK-XLPZGREQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN=[N]=N)O
OpenEye OEToolkits 2.0.7	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N]=N)O
CACTVS 3.385	CC1=CN([CH]2C[CH](O)[CH](CN=[N]=N)O2)C(=O)NC1=O
CACTVS 3.385	CC1=CN([C@H]2C[C@H](O)[C@@H](CN=[N]=N)O2)C(=O)NC1=O

Name:

1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

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).