BioLiP

PDB

BioLiP

PDB CCD ID:

1RT

Number of entries in BioLiP:

Chemical formula:

C5 H5 N3 O3

InChI:

InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11)

InChIKey:

BLQMCTXZEMGOJM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC1=NC(=O)NC=C1C(O)=O
OpenEye OEToolkits 1.7.6	C1=C(C(=NC(=O)N1)N)C(=O)O
ACDLabs 12.01	O=C1N=C(N)C(C(=O)O)=CN1

Name:

4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid

ZINC:

ZINC000001699911

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).