BioLiP

PDB

BioLiP

PDB CCD ID:

IUJ

Number of entries in BioLiP:

Chemical formula:

C18 H19 F N2 O

InChI:

InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(22)20-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)

InChIKey:

UPSQQXZUKXWTKK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CNC(=O)c2ccc(cc2)F)N3CCCC3
CACTVS 3.385	Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3

Name:

4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

ZINC:

ZINC000010113476

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).