BioLiP

PDB

BioLiP

PDB CCD ID:

OM8

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl F2 N O2

InChI:

InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)

InChIKey:

QPJFTLSXPCJEKL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F
CACTVS 3.385	NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F

Name:

3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide

ChEMBL:

CHEMBL5092442

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).