BioLiP

PDB

BioLiP

PDB CCD ID:

TT3

Number of entries in BioLiP:

Chemical formula:

C10 H12 F N O2

InChI:

InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3

InChIKey:

CEYGCTDHMLPHQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CN(C)C(=O)COc1cccc(F)c1
OpenEye OEToolkits 2.0.7	CN(C)C(=O)COc1cccc(c1)F

Name:

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

ZINC:

ZINC000058332455

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).