BioLiP

PDB

BioLiP

PDB CCD ID:

TWR

Number of entries in BioLiP:

Chemical formula:

C10 H13 F N2 O2

InChI:

InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3

InChIKey:

VNDZSXJKUDTTMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)C(=O)COc1ccc(c(c1)F)N
ACDLabs 12.01 CACTVS 3.385	CN(C)C(=O)COc1ccc(N)c(F)c1

Name:

2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide

ZINC:

ZINC000043472240

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).