BioLiP

PDB

BioLiP

PDB CCD ID:

PIC

Number of entries in BioLiP:

Chemical formula:

C12 H9 F2 O5 P

InChI:

InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)

InChIKey:

NKGNOWNPXBURRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
OpenEye OEToolkits 1.5.0	c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O
CACTVS 3.341	OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O

Name:

6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID

ChEMBL:

CHEMBL99447

DrugBank:

DB08397

ZINC:

ZINC000002047327

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).