BioLiP

PDB

BioLiP

PDB CCD ID:

A1IZH

Number of entries in BioLiP:

Chemical formula:

C14 H16 N O2

InChI:

InChI=1S/C14H15NO2/c16-11-13-7-4-10-15(13)9-3-6-12-5-1-2-8-14(12)17/h1-3,5-6,8-9,11,13H,4,7,10H2/p+1/t13-/m0/s1

InChIKey:

JBRXZQVMNONUDZ-ZDUSSCGKSA-O

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccccc1C=CC=[N+]2CCC[CH]2C=O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)/C=C/C=[N+]\2/CCC[C@H]2C=O)O
CACTVS 3.385	Oc1ccccc1\C=C\C=[N+]/2CCC[C@H]/2C=O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C=CC=[N+]2CCCC2C=O)O

Name:

(1~{Z},2~{S})-1-[(~{E})-3-(2-hydroxyphenyl)prop-2-enylidene]-1$l^{4}-azolidine-2-carbaldehyde

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).