BioLiP

PDB

BioLiP

PDB CCD ID:

USA

Number of entries in BioLiP:

Chemical formula:

C4 H5 N3

InChI:

InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+

InChIKey:

CWGOCYXTOJEBFI-HWKANZROSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1ccnc1/C=N
OpenEye OEToolkits 2.0.7	[H]/N=C/c1[nH]ccn1
OpenEye OEToolkits 2.0.7	c1cnc([nH]1)C=N
CACTVS 3.385	N=Cc1[nH]ccn1

Name:

(E)-1-(1H-imidazol-2-yl)methanimine

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).