BioLiP

PDB

BioLiP

PDB CCD ID:

PF1

Number of entries in BioLiP:

Chemical formula:

C9 H14 N4 O2

InChI:

InChI=1S/C9H14N4O2/c1-7-11-4-8(9(10)12-7)5-13(6-15)2-3-14/h4,6,14H,2-3,5H2,1H3,(H2,10,11,12)

InChIKey:

PXEGMHGZZOOILN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=CN(Cc1cnc(nc1N)C)CCO
OpenEye OEToolkits 1.5.0	Cc1ncc(c(n1)N)CN(CCO)C=O
CACTVS 3.341	Cc1ncc(CN(CCO)C=O)c(N)n1

Name:

N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE

ZINC:

ZINC000016052433

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).