BioLiP

PDB

BioLiP

PDB CCD ID:

K3M

Number of entries in BioLiP:

Chemical formula:

C8 H8 F N O

InChI:

InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)

InChIKey:

PLKJXPACQBBJDC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(c(c1)F)C(=O)N
CACTVS 3.385	Cc1ccc(C(N)=O)c(F)c1
ACDLabs 12.01	c1(C(=O)N)ccc(cc1F)C

Name:

2-fluoro-4-methylbenzamide

ZINC:

ZINC000039712976

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).