SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C4 H4 N4 O4

InChI:

InChI=1S/C4H4N4O4/c5-1-2(8(11)12)6-4(10)7-3(1)9/h5H2,(H2,6,7,9,10)

InChIKey:

CLOSWQFGCBFNCK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N
OpenEye OEToolkits 1.5.0	C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N
CACTVS 3.341	NC1=C(NC(=O)NC1=O)[N+]([O-])=O

Name:

5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;
5-AMINO 6-NITRO URACIL

DrugBank:

ZINC:

ZINC000006452765

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).