BioLiP

PDB

BioLiP

PDB CCD ID:

P0W

Number of entries in BioLiP:

Chemical formula:

C16 H17 N5 O2

InChI:

InChI=1S/C16H17N5O2/c1-20(11-13-9-15(22)18-16(23)17-13)10-12-7-8-21(19-12)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H2,17,18,22,23)

InChIKey:

QEPPSXRODAKRSU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3
CACTVS 3.385	CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3ccccc3

Name:

6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione

ZINC:

ZINC000058265287

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).