BioLiP

PDB

BioLiP

PDB CCD ID:

QZR

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O2 S2

InChI:

InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17)

InChIKey:

QVQHWPLHUNEREE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1cc2c(ncnc2s1)Nc3ccc(cc3)S(=O)(=O)C
CACTVS 3.385	Cc1sc2ncnc(Nc3ccc(cc3)[S](C)(=O)=O)c2c1

Name:

6-methyl-~{N}-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine

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).