BioLiP

PDB

BioLiP

PDB CCD ID:

SN4

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O S

InChI:

InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)

InChIKey:

YAKXWVMVPOHRGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cn1)C(N)=S
OpenEye OEToolkits 2.0.6	COc1ccc(cn1)C(=S)N

Name:

6-methoxypyridine-3-carbothioamide

ZINC:

ZINC000000124413

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).