BioLiP

PDB

BioLiP

PDB CCD ID:

J0Y

Number of entries in BioLiP:

Chemical formula:

C17 H11 F7 N2 O3

InChI:

InChI=1S/C17H11F7N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(15(27)26-29)25-16(28)14(21)17(22,23)24/h1-6,13-14,29H,(H,25,28)(H,26,27)/t13-,14-/m1/s1

InChIKey:

RMDXUADAMJFUFR-ZIAGYGMSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C(C(F)(F)F)F
CACTVS 3.385	ONC(=O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc(cc1)c2cc(F)c(F)c(F)c2
ACDLabs 12.01	FC(F)(F)C(F)C(=O)NC(C(=O)NO)c1ccc(cc1)c2cc(F)c(c(c2)F)F
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F
CACTVS 3.385	ONC(=O)[CH](NC(=O)[CH](F)C(F)(F)F)c1ccc(cc1)c2cc(F)c(F)c(F)c2

Name:

(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide

ChEMBL:

CHEMBL4435744

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).