BioLiP

PDB

BioLiP

PDB CCD ID:

A1IDF

Number of entries in BioLiP:

Chemical formula:

C17 H15 N5 S

InChI:

InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)

InChIKey:

WEAHBTIIZJSGDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccncc4)C
CACTVS 3.385	Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1

Name:

~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-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).