BioLiP

PDB

BioLiP

PDB CCD ID:

HX5

Number of entries in BioLiP:

Chemical formula:

C5 H4 Cl2 N2 S

InChI:

InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3

InChIKey:

FCMLONIWOAGZJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1c(Cl)nc(nc1Cl)SC
OpenEye OEToolkits 2.0.6	CSc1nc(cc(n1)Cl)Cl
CACTVS 3.385	CSc1nc(Cl)cc(Cl)n1

Name:

4,6-dichloro-2-(methylsulfanyl)pyrimidine

ZINC:

ZINC000000119524

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).