BioLiP

PDB

BioLiP

PDB CCD ID:

A1IDC

Number of entries in BioLiP:

Chemical formula:

C15 H13 N5 S2

InChI:

InChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19)

InChIKey:

ZESZPGWEQAVONG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(C)c(Nc2ccc3scc(c4sncc4)c3n2)n1
OpenEye OEToolkits 2.0.7	Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccns4)C

Name:

~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-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).