BioLiP

PDB

BioLiP

PDB CCD ID:

YPO

Number of entries in BioLiP:

Chemical formula:

C18 H17 F3 N2 O2

InChI:

InChI=1S/C18H17F3N2O2/c1-11(24)23-16-8-5-13(10-15(16)22)17(25)9-4-12-2-6-14(7-3-12)18(19,20)21/h2-3,5-8,10H,4,9,22H2,1H3,(H,23,24)

InChIKey:

NRSSDQYXMLRGOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F
ACDLabs 12.01	O=C(C)Nc1ccc(cc1N)C(=O)CCc1ccc(cc1)C(F)(F)F

Name:

N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide

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).