BioLiP

PDB

BioLiP

PDB CCD ID:

0KG

Number of entries in BioLiP:

Chemical formula:

C14 H20 N O5 P

InChI:

InChI=1S/C14H20NO5P/c16-14(15-11-6-2-1-3-7-11)10-20-12-8-4-5-9-13(12)21(17,18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,15,16)(H2,17,18,19)

InChIKey:

BDUNSMHXJWSVKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O
CACTVS 3.370	O[P](O)(=O)c1ccccc1OCC(=O)NC2CCCCC2
ACDLabs 12.01	O=C(NC1CCCCC1)COc2ccccc2P(=O)(O)O

Name:

{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid

ZINC:

ZINC000013624745

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).