BioLiP

PDB

BioLiP

PDB CCD ID:

Q1R

Number of entries in BioLiP:

Chemical formula:

C21 H17 Cl N2 O2

InChI:

InChI=1S/C21H17ClN2O2/c22-18-12-16(20(25)23-14-15-7-3-1-4-8-15)11-17(13-18)21(26)24-19-9-5-2-6-10-19/h1-13H,14H2,(H,23,25)(H,24,26)

InChIKey:

YLFDFYBJVIURMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccc(cc1)CNC(=O)c2cc(cc(c2)Cl)C(=O)Nc3ccccc3
CACTVS 3.385	Clc1cc(cc(c1)C(=O)Nc2ccccc2)C(=O)NCc3ccccc3

Name:

5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide

ChEMBL:

CHEMBL5273188

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).