BioLiP

PDB

BioLiP

PDB CCD ID:

ICP

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3

InChI:

InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3

InChIKey:

AXFPKNUSOMMYRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	[N@H]=C/1N=C(N=CC\1=C)C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC1=NC(=N)C(=C)C=N1

Name:

2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE;
4-IMINO-5-METHIDYL-2-METHYLPYRIMIDINE

DrugBank:

DB01788

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).