BioLiP

PDB

BioLiP

PDB CCD ID:

A1B7T

Number of entries in BioLiP:

Chemical formula:

C20 H14 Cl2 F2 N2 O

InChI:

InChI=1S/C20H14Cl2F2N2O/c21-18-5-1-4-14(19(18)22)12-26(11-13-3-2-6-25-10-13)20(27)15-7-16(23)9-17(24)8-15/h1-10H,11-12H2

InChIKey:

RDIHBIADEXQZSH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1cc(F)cc(c1)C(=O)N(Cc2cccnc2)Cc3cccc(Cl)c3Cl
OpenEye OEToolkits 3.1.0.0	c1cc(c(c(c1)Cl)Cl)CN(Cc2cccnc2)C(=O)c3cc(cc(c3)F)F
ACDLabs 14.52	Fc1cc(cc(F)c1)C(=O)N(Cc1cccc(Cl)c1Cl)Cc1cccnc1

Name:

N-[(2,3-dichlorophenyl)methyl]-3,5-difluoro-N-[(pyridin-3-yl)methyl]benzamide

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).