BioLiP

PDB

BioLiP

PDB CCD ID:

OJP

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3 O2

InChI:

InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14)

InChIKey:

MRXPIIRFCTXJFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C=CC(=O)NCCCCc1[nH]cc(n1)CO
ACDLabs 12.01	c1c(nc(CCCCNC(/C=C)=O)n1)CO
CACTVS 3.385	OCc1c[nH]c(CCCCNC(=O)C=C)n1

Name:

N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide

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).