BioLiP

PDB

BioLiP

PDB CCD ID:

A1JFV

Number of entries in BioLiP:

Chemical formula:

C14 H13 F N2 O

InChI:

InChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-13-3-1-2-10(8-13)9-16/h1-8H,9,16H2,(H,17,18)

InChIKey:

BXXGLZQHWVCWBM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CN
CACTVS 3.385	NCc1cccc(NC(=O)c2ccc(F)cc2)c1

Name:

~{N}-[3-(aminomethyl)phenyl]-4-fluoranyl-benzamide

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).