BioLiP

PDB

BioLiP

PDB CCD ID:

WEI

Number of entries in BioLiP:

Chemical formula:

C6 H6 N4 S

InChI:

InChI=1S/C6H6N4S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H4,7,8,9,10)

InChIKey:

WWNLEICCMKSWQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1csc2c1c(nc(n2)N)N
CACTVS 3.385	Nc1nc(N)c2ccsc2n1
ACDLabs 12.01	Nc1nc(N)nc2sccc12

Name:

thieno[2,3-d]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).