BioLiP

PDB

BioLiP

PDB CCD ID:

0N9

Number of entries in BioLiP:

Chemical formula:

C9 H8 N4 O4

InChI:

InChI=1S/C9H8N4O4/c1-13-2-4(10-3-13)7-11-5(9(16)17)6(14)8(15)12-7/h2-3,14H,1H3,(H,16,17)(H,11,12,15)

InChIKey:

OIINGOWTGWVZNY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C=1N=C(NC(=O)C=1O)c2ncn(c2)C
OpenEye OEToolkits 1.7.6	Cn1cc(nc1)C2=NC(=C(C(=O)N2)O)C(=O)O
CACTVS 3.370	Cn1cnc(c1)C2=NC(=C(O)C(=O)N2)C(O)=O

Name:

5-hydroxy-2-(1-methyl-1H-imidazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid

ChEMBL:

CHEMBL2040563

ZINC:

ZINC000084704408

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).