BioLiP

PDB

BioLiP

PDB CCD ID:

ZYB

Number of entries in BioLiP:

Chemical formula:

C7 H7 F N2 O

InChI:

InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)

InChIKey:

OSUPWUQRPLIJKX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N\O)/c1ccc(F)cc1
CACTVS 3.385	NC(=NO)c1ccc(F)cc1
OpenEye OEToolkits 1.7.6	c1cc(ccc1C(=NO)N)F
OpenEye OEToolkits 1.7.6	c1cc(ccc1/C(=N/O)/N)F
ACDLabs 12.01	Fc1ccc(C(=N\O)\N)cc1

Name:

4-Fluorobenzamidoxime

ZINC:

ZINC000012649842

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).