BioLiP

PDB

BioLiP

PDB CCD ID:

CQZ

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O3

InChI:

InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)

InChIKey:

FWYOTGNTHMHGFK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cnc(cc1C(=O)O)NCCCO
CACTVS 3.385	OCCCNc1cc(ccn1)C(O)=O

Name:

2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid

ZINC:

ZINC000042783956

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).