BioLiP

PDB

BioLiP

PDB CCD ID:

A1I1T

Number of entries in BioLiP:

Chemical formula:

C15 H14 F N O2

InChI:

InChI=1S/C15H14FNO2/c1-10(18)17-12-8-6-11(7-9-12)15(19)13-4-2-3-5-14(13)16/h2-9,15,19H,1H3,(H,17,18)/t15-/m1/s1

InChIKey:

FGVHLIFJYKZKOI-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)[C@H](c2ccccc2F)O
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)C(c2ccccc2F)O
CACTVS 3.385	CC(=O)Nc1ccc(cc1)[C@@H](O)c2ccccc2F
CACTVS 3.385	CC(=O)Nc1ccc(cc1)[CH](O)c2ccccc2F

Name:

N-(4-((2-fluorophenyl)(hydroxy)methyl)phenyl)acetamide;
~{N}-[4-[(~{R})-(2-fluorophenyl)-oxidanyl-methyl]phenyl]ethanamide

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).