BioLiP

PDB

BioLiP

PDB CCD ID:

FZ6

Number of entries in BioLiP:

Chemical formula:

C10 H11 F3 N2 O3

InChI:

InChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-6(4-7)15-9(17)8(14)5-16/h1-4,8,16H,5,14H2,(H,15,17)/t8-/m1/s1

InChIKey:

QKKNXONMXNVCIX-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N
CACTVS 3.385	N[CH](CO)C(=O)Nc1cccc(OC(F)(F)F)c1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CO)N

Name:

(2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide

ChEMBL:

CHEMBL4747065

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).