BioLiP

PDB

BioLiP

PDB CCD ID:

SGK

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2

InChI:

InChI=1S/C8H10N2O2/c11-8(12)6-9-5-7-3-1-2-4-10-7/h1-4,9H,5-6H2,(H,11,12)

InChIKey:

MDMCWJVDDJDEGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CNCc1ccccn1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)CNCC(=O)O

Name:

2-(pyridin-2-ylmethylamino)ethanoic acid

ZINC:

ZINC000021953256

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).