BioLiP

PDB

BioLiP

PDB CCD ID:

2CT

Number of entries in BioLiP:

Chemical formula:

C16 H18 N O7 P

InChI:

InChI=1S/C16H18NO7P/c1-22-11-7-8-13(23-2)12(9-11)17-16(18)10-24-14-5-3-4-6-15(14)25(19,20)21/h3-9H,10H2,1-2H3,(H,17,18)(H2,19,20,21)

InChIKey:

ZRSQIYJHXGHOBQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(O)(O)c2ccccc2OCC(=O)Nc1cc(OC)ccc1OC
CACTVS 3.370	COc1ccc(OC)c(NC(=O)COc2ccccc2[P](O)(O)=O)c1
OpenEye OEToolkits 1.7.2	COc1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)OC

Name:

(2-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid

ZINC:

ZINC000009302840

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).