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BioLiP

PDB CCD ID: 4BR
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.341Cc1ccc(OCC[PH]([O-])=O)cc1
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)OCCP(=O)[O-]
ACDLabs 10.04[O-]P(=O)CCOc1ccc(cc1)C
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)OCC[P@H](=O)[O-]
Name:2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE
DrugBank: DB07103
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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