BioLiP

PDB

BioLiP

PDB CCD ID:

VPK

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2

InChI:

InChI=1S/C8H10N2O2/c1-2-12-8(11)10-7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)

InChIKey:

YLRSARVOZNPQKX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCOC(=O)Nc1cccnc1
ACDLabs 12.01	O=C(OCC)Nc1cccnc1

Name:

ethyl pyridin-3-ylcarbamate

ZINC:

ZINC000001668824

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).