BioLiP

PDB

BioLiP

PDB CCD ID:

8RY

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 O

InChI:

InChI=1S/C6H7N3O/c1-7-6(10)5-8-3-2-4-9-5/h2-4H,1H3,(H,7,10)

InChIKey:

FJMKLLGSSGMGBM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNC(=O)c1ncccn1
ACDLabs 12.01	N(C)C(c1ncccn1)=O

Name:

N-methylpyrimidine-2-carboxamide

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).