BioLiP

PDB

BioLiP

PDB CCD ID:

282

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O

InChI:

InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3

InChIKey:

UMJSCPRVCHMLSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	COc1cccnc1
ACDLabs 10.04	O(c1cccnc1)C

Name:

3-methoxypyridine

ZINC:

ZINC000000403175

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).