BioLiP

PDB

BioLiP

PDB CCD ID:

FBA

Number of entries in BioLiP:

Chemical formula:

C7 H9 F N

InChI:

InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1

InChIKey:

IIFVWLUQBAIPMJ-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1ccc(cc1)C[NH3+]
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[NH3+])F
CACTVS 3.341	[NH3+]Cc1ccc(F)cc1

Name:

4-FLUOROBENZYLAMINE

DrugBank:

DB03243

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).