BioLiP

PDB

BioLiP

PDB CCD ID:

V1M

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O4

InChI:

InChI=1S/C16H17NO4/c1-11-8-13(19-2)5-7-15(11)21-10-12-4-6-14(17-9-12)16(18)20-3/h4-9H,10H2,1-3H3

InChIKey:

UCQHQVIAEYFBHN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1cc(OC)ccc1OCc2ccc(nc2)C(=O)OC
CACTVS 3.385	COC(=O)c1ccc(COc2ccc(OC)cc2C)cn1
OpenEye OEToolkits 2.0.7	Cc1cc(ccc1OCc2ccc(nc2)C(=O)OC)OC

Name:

methyl 5-[(4-methoxy-2-methylphenoxy)methyl]pyridine-2-carboxylate

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).