BioLiP

PDB

BioLiP

PDB CCD ID:

MKN

Number of entries in BioLiP:

Chemical formula:

C11 H8 N2 S2

InChI:

InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)

InChIKey:

JTXMBJSVNQHHPW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(sc1)c2ccc(s2)c3cc[nH]n3
CACTVS 3.385	[nH]1ccc(n1)c2sc(cc2)c3sccc3

Name:

3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole

ZINC:

ZINC000001039495

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).