BioLiP

PDB

BioLiP

PDB CCD ID:

A1EBQ

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O

InChI:

InChI=1S/C10H11NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7+

InChIKey:

JNXLTSSPACJLEG-BQYQJAHWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)\C=C\c1ccccc1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNC(=O)C=Cc1ccccc1
OpenEye OEToolkits 2.0.7	CNC(=O)/C=C/c1ccccc1

Name:

(~{E})-~{N}-methyl-3-phenyl-prop-2-enamide

ChEMBL:

CHEMBL1797870

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).