BioLiP

PDB

BioLiP

PDB CCD ID:

VTO

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2

InChI:

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

InChIKey:

XVBZFXZNJAFCHL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Nc1cc(ccn1)C(=O)OCC
OpenEye OEToolkits 2.0.7	CCOC(=O)c1ccnc(c1)N
CACTVS 3.385	CCOC(=O)c1ccnc(N)c1

Name:

ethyl 2-aminopyridine-4-carboxylate

ZINC:

ZINC000019735565

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).