BioLiP

PDB

BioLiP

PDB CCD ID:

A1D8I

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4 S

InChI:

InChI=1S/C17H16N4S/c1-11-18-14-7-9-22-16(14)17(19-11)21(3)13-4-5-15-12(10-13)6-8-20(15)2/h4-10H,1-3H3

InChIKey:

WTDOSEGYWYJIAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1nc2ccsc2c(n1)N(C)c3ccc4c(c3)ccn4C
CACTVS 3.385	Cn1ccc2cc(ccc12)N(C)c3nc(C)nc4ccsc34

Name:

~{N},2-dimethyl-~{N}-(1-methylindol-5-yl)thieno[3,2-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).