BioLiP

PDB

BioLiP

PDB CCD ID:

4FX

Number of entries in BioLiP:

Chemical formula:

C14 H15 N3 O2

InChI:

InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)

InChIKey:

OZFDPNFXJQTLGG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC
CACTVS 3.385	COc1ccccc1CNc2ccc(cn2)C(N)=O
OpenEye OEToolkits 1.9.2	COc1ccccc1CNc2ccc(cn2)C(=O)N

Name:

6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide

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).