BioLiP

PDB

BioLiP

PDB CCD ID:

U8M

Number of entries in BioLiP:

Chemical formula:

C11 H9 F2 N5

InChI:

InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16)

InChIKey:

KBEPGXDKUHLALK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N
CACTVS 3.385	Nc1ccc(N=Nc2cccc(F)c2F)c(N)n1
ACDLabs 12.01	n1c(ccc(c1N)/N=N\c2cccc(F)c2F)N

Name:

3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine

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).