BioLiP

PDB

BioLiP

PDB CCD ID:

NVI

Number of entries in BioLiP:

Chemical formula:

C5 H7 N2

InChI:

InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2/p+1

InChIKey:

OSSNTDFYBPYIEC-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C=C[n+]1cc[nH]c1
ACDLabs 10.04	C=C\[n+]1ccnc1
CACTVS 3.341	C=C[n+]1c[nH]cc1

Name:

1-VINYLIMIDAZOLE

ZINC:

ZINC000005853223

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).