BioLiP

PDB

BioLiP

PDB CCD ID:

J9T

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O2

InChI:

InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)

InChIKey:

SVWWNEYBEFASMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)c1ccnc(N)c1
OpenEye OEToolkits 2.0.7	COC(=O)c1ccnc(c1)N

Name:

methyl 2-azanylpyridine-4-carboxylate

ZINC:

ZINC000019015190

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).