BioLiP

PDB

BioLiP

PDB CCD ID:

NFM

Number of entries in BioLiP:

Chemical formula:

C7 H10 N4 O

InChI:

InChI=1S/C7H10N4O/c1-5-10-3-6(2-9-4-12)7(8)11-5/h3-4H,2H2,1H3,(H,9,12)(H2,8,10,11)

InChIKey:

PVWNFAGYFUUDRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	O=CNCc1cnc(nc1N)C
OpenEye OEToolkits 1.7.0	Cc1ncc(c(n1)N)CNC=O
CACTVS 3.352	Cc1ncc(CNC=O)c(N)n1

Name:

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide

ZINC:

ZINC000032206129

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).