BioLiP

PDB

BioLiP

PDB CCD ID:

GJE

Number of entries in BioLiP:

Chemical formula:

C10 H9 F3 N4 O

InChI:

InChI=1S/C10H9F3N4O/c11-10(12,13)5-6-15-9(18)7-1-3-8(4-2-7)16-17-14/h1-4H,5-6H2,(H,15,18)

InChIKey:

PCHDVKCHSJFSLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-]

Name:

4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide

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).