BioLiP

PDB

BioLiP

PDB CCD ID:

FGN

Number of entries in BioLiP:

Chemical formula:

C16 H13 Cl2 N O3

InChI:

InChI=1S/C16H13Cl2NO3/c17-13-5-3-6-14(18)12(13)10-22-15-7-2-1-4-11(15)8-9-16(20)19-21/h1-9,21H,10H2,(H,19,20)/b9-8+

InChIKey:

YTQRIEFQVODUBZ-CMDGGOBGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl
CACTVS 3.385	ONC(=O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl
CACTVS 3.385	ONC(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl

Name:

(~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide

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).