BioLiP

PDB

BioLiP

PDB CCD ID:

M4K

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O2

InChI:

InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)

InChIKey:

DKPZCWNOVJTLGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3
CACTVS 3.385	O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3

Name:

6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

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).