BioLiP

PDB

BioLiP

PDB CCD ID:

ZY9

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O2

InChI:

InChI=1S/C7H8N2O2/c8-4-5-2-1-3-6(9-5)7(10)11/h1-3H,4,8H2,(H,10,11)

InChIKey:

KKWKBQBRQWNTPN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1cccc(n1)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(nc(c1)C(=O)O)CN

Name:

6-(aminomethyl)pyridine-2-carboxylic acid

ZINC:

ZINC000035269649

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).