BioLiP

PDB

BioLiP

PDB CCD ID:

USD

Number of entries in BioLiP:

Chemical formula:

C5 H5 N3

InChI:

InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+

InChIKey:

KSQIQMUQPXONCB-GQCTYLIASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(nc1)C=N
OpenEye OEToolkits 2.0.7	[H]/N=C/c1ncccn1
ACDLabs 12.01	n1cccnc1/C=N
CACTVS 3.385	N=Cc1ncccn1

Name:

(E)-1-(pyrimidin-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).