BioLiP

PDB

BioLiP

PDB CCD ID:

CG0

Number of entries in BioLiP:

Chemical formula:

C14 H24 N6

InChI:

InChI=1S/C14H24N6/c1-3-11-12(16-10-4-5-10)17-14(15)18-13(11)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H3,15,16,17,18)

InChIKey:

UGBSJHLIBQEGBQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCc1c(nc(nc1N2CCN(CC2)C)N)NC3CC3
CACTVS 3.385	CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3

Name:

N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

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).