BioLiP

PDB

BioLiP

PDB CCD ID:

A1AR9

Number of entries in BioLiP:

Chemical formula:

C19 H13 Cl2 F N2 O

InChI:

InChI=1S/C19H13Cl2FN2O/c20-15-5-1-3-13(7-15)14-4-2-6-17(8-14)24(19(25)10-22)18-9-16(21)11-23-12-18/h1-9,11-12H,10H2

InChIKey:

SDDYMGGGFFSDQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)N(c2cc(cnc2)Cl)C(=O)CF)c3cccc(c3)Cl
CACTVS 3.385	FCC(=O)N(c1cccc(c1)c2cccc(Cl)c2)c3cncc(Cl)c3
ACDLabs 12.01	Clc1cc(cnc1)N(C(=O)CF)c1cc(ccc1)c1cccc(Cl)c1

Name:

N-[(1M)-3'-chloro[1,1'-biphenyl]-3-yl]-N-(5-chloropyridin-3-yl)-2-fluoroacetamide

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).