BioLiP

PDB

BioLiP

PDB CCD ID:

ERZ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5

InChI:

InChI=1S/C10H13N5/c1-7-4-11-10(12-5-7)14-9-6-13-15(3)8(9)2/h4-6H,1-3H3,(H,11,12,14)

InChIKey:

XMVHLWOPQDOPRZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cnc(nc1)Nc2cnn(c2C)C
CACTVS 3.385	Cn1ncc(Nc2ncc(C)cn2)c1C

Name:

~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine

ChEMBL:

CHEMBL4210146

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).