BioLiP

PDB

BioLiP

PDB CCD ID:

3F0

Number of entries in BioLiP:

Chemical formula:

C7 H6 F N O2

InChI:

InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey:

KUHAYJJXXGBYBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1cccc(C(=O)O)c1N
OpenEye OEToolkits 1.9.2	c1cc(c(c(c1)F)N)C(=O)O
CACTVS 3.385	Nc1c(F)cccc1C(O)=O

Name:

2-azanyl-3-fluoranyl-benzoic acid;
3-fluoroanthranilate

ZINC:

ZINC000002574870

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).