BioLiP

PDB

BioLiP

PDB CCD ID:

JG4

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 S

InChI:

InChI=1S/C7H6N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9)

InChIKey:

UZLSJAUHCCPJMC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc(c1nccn1)sc2
OpenEye OEToolkits 2.0.6	c1cc(sc1)c2[nH]ccn2
CACTVS 3.385	[nH]1ccnc1c2sccc2

Name:

2-(thiophen-2-yl)-1H-imidazole

ZINC:

ZINC000000389924

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).