BioLiP

PDB

BioLiP

PDB CCD ID:

39L

Number of entries in BioLiP:

Chemical formula:

C9 H11 F N2 O6 P2

InChI:

InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18)

InChIKey:

MGBVLKIPHVCMLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.7.6	c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O

Name:

[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)

ZINC:

ZINC000068202652

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).