BioLiP

PDB

BioLiP

PDB CCD ID:

A1I77

Number of entries in BioLiP:

Chemical formula:

C9 H9 Cl N2 O2

InChI:

InChI=1S/C9H9ClN2O2/c10-7-4-11-8(12-5-1-2-5)3-6(7)9(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)

InChIKey:

NCSZLPPRCHEMOT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc(NC2CC2)ncc1Cl
OpenEye OEToolkits 2.0.7	c1c(c(cnc1NC2CC2)Cl)C(=O)O

Name:

5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid

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).