BioLiP

PDB

BioLiP

PDB CCD ID:

YS6

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 S

InChI:

InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)

InChIKey:

HLOFIQOOOSRNFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=S)Nc1ccncc1
OpenEye OEToolkits 1.7.6	c1cnccc1NC(=S)N

Name:

1-pyridin-4-ylthiourea

ZINC:

ZINC000005594608

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).