BioLiP

PDB

BioLiP

PDB CCD ID:

A1ABA

Number of entries in BioLiP:

Chemical formula:

C12 H14 F3 N O2

InChI:

InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2

InChIKey:

KYVJYGRFMSNHDV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1cc(ccc1N2CCOCC2)C(F)(F)F
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2
ACDLabs 12.01	FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1

Name:

[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol

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).