BioLiP

PDB

BioLiP

PDB CCD ID:

TVJ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N4 O7 P

InChI:

InChI=1S/C10H13N4O7P/c1-5-8(15)7(3-13-14-10(17)9(11)16)6(2-12-5)4-21-22(18,19)20/h2-3,15H,4H2,1H3,(H2,11,16)(H,14,17)(H2,18,19,20)/b13-3+

InChIKey:

QXOGMDGTZNDNSY-QLKAYGNNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)C(=O)N)O
CACTVS 3.385	Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O)C(N)=O)c1O
OpenEye OEToolkits 2.0.7	Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)C(=O)N)O
CACTVS 3.385	Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)C(N)=O)c1O

Name:

[6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen 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).