BioLiP

PDB

BioLiP

PDB CCD ID:

OKM

Number of entries in BioLiP:

Chemical formula:

C8 H15 N5 O

InChI:

InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)

InChIKey:

NFMIMWNQWAWNDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCNc1nc(nc(n1)O)NC(C)C
ACDLabs 12.01	CC(Nc1nc(nc(NCC)n1)O)C
CACTVS 3.385	CCNc1nc(O)nc(NC(C)C)n1

Name:

4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol

ZINC:

ZINC000013540805

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).