BioLiP

PDB

BioLiP

PDB CCD ID:

S7Z

Number of entries in BioLiP:

Chemical formula:

C14 H6 F4 N2 O4

InChI:

InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-

InChIKey:

UGNSRBICRLILLW-VXPUYCOJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1F)N=Nc2c(cc(cc2F)C(=O)O)F)F)C(=O)O
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1F)/N=N\c2c(cc(cc2F)C(=O)O)F)F)C(=O)O
CACTVS 3.385	OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1

Name:

(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol;
[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol

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).