BioLiP

PDB

BioLiP

PDB CCD ID:

ZP2

Number of entries in BioLiP:

Chemical formula:

C14 H10 F N O6

InChI:

InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3

InChIKey:

LHCGDAFIWWCKGM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2
OpenEye OEToolkits 2.0.7	COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O

Name:

(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone;
Pharmacokinetically Improved TTR Binder (PITB)

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).