BioLiP

PDB

BioLiP

PDB CCD ID:

4BR

Number of entries in BioLiP:

Chemical formula:

C9 H12 O3 P

InChI:

InChI=1S/C9H13O3P/c1-8-2-4-9(5-3-8)12-6-7-13(10)11/h2-5,13H,6-7H2,1H3,(H,10,11)/p-1

InChIKey:

SATOOOGJLDLPLZ-UHFFFAOYSA-M

SMILES:

Software	SMILES
CACTVS 3.341	Cc1ccc(OCC[PH]([O-])=O)cc1
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)OCCP(=O)[O-]
ACDLabs 10.04	[O-]P(=O)CCOc1ccc(cc1)C
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)OCC[P@H](=O)[O-]

Name:

2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE

DrugBank:

DB07103

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).