BioLiP

PDB

BioLiP

PDB CCD ID:

6SM

Number of entries in BioLiP:

Chemical formula:

C5 H3 Cl N2 O2

InChI:

InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)

InChIKey:

AXGQUUGCTSWSMC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1c(c(ncn1)C(=O)O)Cl
CACTVS 3.385	OC(=O)c1ncncc1Cl

Name:

5-chloranylpyrimidine-4-carboxylic acid

ZINC:

ZINC000011804329

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).