BioLiP

PDB

BioLiP

PDB CCD ID:

ZEI

Number of entries in BioLiP:

Chemical formula:

C16 H14 Cl N O2

InChI:

InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+

InChIKey:

RYAMDQKWNKKFHD-JXMROGBWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1
ACDLabs 12.01	Clc1ccc(/C=C/C(=O)Nc2cccc(OC)c2)cc1
OpenEye OEToolkits 2.0.7	COc1cccc(c1)NC(=O)C=Cc2ccc(cc2)Cl
CACTVS 3.385	COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1
OpenEye OEToolkits 2.0.7	COc1cccc(c1)NC(=O)/C=C/c2ccc(cc2)Cl

Name:

(2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide;
SB-366791

ChEMBL:

CHEMBL122413

ZINC:

ZINC000000009321

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).