BioLiP

PDB

BioLiP

PDB CCD ID:

A1IDA

Number of entries in BioLiP:

Chemical formula:

C16 H12 N4 S

InChI:

InChI=1S/C16H12N4S/c1-20-9-6-14(19-20)13-2-3-15-16(18-13)12(10-21-15)11-4-7-17-8-5-11/h2-10H,1H3

InChIKey:

LXGOVQVQBLFWHN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1ccc(n1)c2ccc3c(n2)c(cs3)c4ccncc4
CACTVS 3.385	Cn1ccc(n1)c2ccc3scc(c4ccncc4)c3n2

Name:

5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

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).