BioLiP

PDB

BioLiP

PDB CCD ID:

F6F

Number of entries in BioLiP:

Chemical formula:

C10 H11 F3 N O6 P

InChI:

InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)

InChIKey:

YAHFSBJEYPSDPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O
CACTVS 3.341	O[P](O)(=O)OCCNC(=O)c1ccc(OC(F)(F)F)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F

Name:

2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE;
N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6

DrugBank:

DB07745

ZINC:

ZINC000016051902

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).