BioLiP

PDB

BioLiP

PDB CCD ID:

VQL

Number of entries in BioLiP:

Chemical formula:

C8 H9 N5 S2

InChI:

InChI=1S/C8H9N5S2/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13)

InChIKey:

CONHQKZCNGTWSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1nc(cs1)c1nc(SC)nc(N)n1
CACTVS 3.385	CSc1nc(N)nc(n1)c2csc(C)n2
OpenEye OEToolkits 2.0.7	Cc1nc(cs1)c2nc(nc(n2)SC)N

Name:

(6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine

ZINC:

ZINC000000122724

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).