BioLiP

PDB

BioLiP

PDB CCD ID:

K8C

Number of entries in BioLiP:

Chemical formula:

C6 H6 N2 O S

InChI:

InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3

InChIKey:

QGJXHPACBLAFFJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CSc1nccc(n1)C=O
CACTVS 3.385	CSc1nccc(C=O)n1

Name:

2-methylsulfanylpyrimidine-4-carbaldehyde

ZINC:

ZINC000002583498

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).