BioLiP

PDB

BioLiP

PDB CCD ID:

A1AJV

Number of entries in BioLiP:

Chemical formula:

C7 H11 N2

InChI:

InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1

InChIKey:

RGGYXESXCZRPIW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C[n+]1ccc(C=C)n1C
OpenEye OEToolkits 2.0.7	Cn1c(cc[n+]1C)C=C
CACTVS 3.385	Cn1c(C=C)cc[n+]1C

Name:

3-ethenyl-1,2-dimethyl-pyrazole

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).