BioLiP

PDB

BioLiP

PDB CCD ID:

T4G

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5

InChI:

InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)

InChIKey:

SORFNYWLKDSNNF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c(nnc(c1cc(nc(c1)C)C)c2c3ccccc3)N
OpenEye OEToolkits 1.7.6	Cc1cc(cc(n1)C)c2c(nc(nn2)N)c3ccccc3
CACTVS 3.370	Cc1cc(cc(C)n1)c2nnc(N)nc2c3ccccc3

Name:

6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine

ChEMBL:

CHEMBL2024115

ZINC:

ZINC000084602040

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).